5-Methylcytosine

Details

• Internal ID: 6b7cd0dc-2d2f-4680-9ebb-56912da2f74b
• Taxonomy: Organoheterocyclic compounds > Diazines > Pyrimidines and pyrimidine derivatives > Hydroxypyrimidines
• IUPAC Name: 6-amino-5-methyl-1H-pyrimidin-2-one
• SMILES (Canonical): CC1=C(NC(=O)N=C1)N
• SMILES (Isomeric): CC1=C(NC(=O)N=C1)N
• InChI: InChI=1S/C5H7N3O/c1-3-2-7-5(9)8-4(3)6/h2H,1H3,(H3,6,7,8,9)
• InChI Key: LRSASMSXMSNRBT-UHFFFAOYSA-N
• Popularity: 8,423 references in papers

Physical and Chemical Properties

• Molecular Formula: C₅H₇N₃O
• Molecular Weight: 125.13 g/mol
• Exact Mass: 125.058911855 g/mol
• Topological Polar Surface Area (TPSA): 67.50 Ų
• XlogP: -0.80

Synonyms

• 554-01-8
• 4-amino-5-methylpyrimidin-2(1H)-one
• 2(1H)-Pyrimidinone, 4-amino-5-methyl-
• Cytosine, 5-methyl-
• 6-amino-5-methyl-1H-pyrimidin-2-one
• 5-methyl-Cytosine
• 4-amino-5-methyl-2(1H)-pyrimidinone
• Cytosine, 5-methyl- (VAN)
• 130170-01-3
• 2-Pyrimidinol, 4-amino-5-methyl- (9CI)
• 6R795CQT4H
• 4-Amino-5-methyl-2-pyrimidinol
• MFCD00233537
• NSC-137776
• 130170-00-2
• 2(1H)-Pyrimidinone, 3,4-dihydro-4-imino-5-methyl-, (E)- (9CI)
• 5-Methylcytosine (VAN)
• EINECS 209-058-3
• NSC 137776
• UNII-6R795CQT4H
• 6-amino-5-methyl-1H-pyrimidin-2-one hydrochloride
• 5-methyl cytosine
• cytosine-5-carbon
• 5-Methylcytosine>96
• 2'-C-MeCyt
• 6-amino-5-methyl-3-hydropyrimidin-2-one
• METHYLCYTOSINE, 5-
• SCHEMBL22008
• 5-METHYLCYTOSINE [MI]
• SCHEMBL14539996
• CHEBI:27551
• DTXSID50203948
• 4-Amino-5-methyl-2-pyrimidinol #
• NSC137776
• s6021
• AKOS006222273
• 4-amino-5-methyl-1H-pyrimidin-2-one
• AM81335
• CS-W008091
• HY-W008091
• SB55524
• 4-amino-5-methyl-2-(1H)-Pyrimidinone
• AS-17837
• PD123960
• SY046975
• FT-0600532
• 4-amino-5-methyl-1,2-dihydropyrimidin-2-one
• 6-amino-5-methyl-1,2-dihydropyrimidin-2-one
• C02376
• EN300-103021
• A830624
• Q238563
• Q-101641
• 1-[(AMMONIOOXY)METHYL]-2-NITROBENZENECHLORIDE
• 503CC90D-7575-429C-85CB-AA8AB0E84A3A
• Z1741980467

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.08%	95.56%
CHEMBL5409	Q8TDU6	G-protein coupled bile acid receptor 1	88.92%	93.65%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	88.67%	89.34%
CHEMBL3401	O75469	Pregnane X receptor	86.73%	94.73%
CHEMBL1937	Q92769	Histone deacetylase 2	85.48%	94.75%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	84.91%	94.00%
CHEMBL3714130	P46095	G-protein coupled receptor 6	84.85%	97.36%
CHEMBL2424504	P29375	Lysine-specific demethylase 5A	83.47%	99.23%
CHEMBL4224	P49759	Dual specificty protein kinase CLK1	82.59%	85.30%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	82.45%	94.45%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	80.45%	96.09%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	80.25%	99.23%

Plants that contains it

• Luffa acutangula

Cross-Links

• PubChem: 65040
• LOTUS: LTS0015367
• wikiData: Q238563