5-amino-4-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one

C12H14N4O — CID 135575672

IUPAC5-amino-4-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one
SMILESCc1ccc(CNc2nc[nH]c(=O)c2N)cc1
InChIInChI=1S/C12H14N4O/c1-8-2-4-9(5-3-8)6-14-11-10(13)12(17)16-7-15-11/h2-5,7H,6,13H2,1H3,(H2,14,15,16,17)
InChIKeyYDTPKROHGQTKLO-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.27
Rot. Bonds3

About 5-amino-4-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one

5-amino-4-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 135575672) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 5-amino-4-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one
PubChem CID135575672
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name5-amino-4-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one
SMILESCc1ccc(CNc2nc[nH]c(=O)c2N)cc1
InChIInChI=1S/C12H14N4O/c1-8-2-4-9(5-3-8)6-14-11-10(13)12(17)16-7-15-11/h2-5,7H,6,13H2,1H3,(H2,14,15,16,17)
InChIKeyYDTPKROHGQTKLO-UHFFFAOYSA-N
XLogP1.27
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-amino-4-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-4-[(4-hydroxyphenyl)methylamino]-1H-pyrimidin-6-one
CID 137016701
5-amino-4-[(4-methoxyphenyl)methylamino]-1H-pyrimidin-6-one
CID 135568300
5-amino-4-[(4-fluoro-3,5-dimethylphenyl)methylamino]-1H-pyrimidin-6-one
CID 136976407
5-amino-4-[[3-(aminomethyl)phenyl]methylamino]-1H-pyrimidin-6-one
CID 136972704
4-[(4-aminophenyl)methylamino]-5-chloro-1H-pyrimidin-6-one
CID 136979125
5-amino-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]-1H-pyrimidin-6-one
CID 136975652
5-amino-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136974356
5-amino-4-[[4-(aminomethyl)-2-fluorophenyl]methylamino]-1H-pyrimidin-6-one
CID 136972869
6-[(4-methylphenyl)methylamino]-2H-1,2,4-triazine-3,5-dione
CID 43410674
5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136973510
5-amino-4-(1,2-oxazol-5-ylmethylamino)-1H-pyrimidin-6-one
CID 136902041
5-amino-4-[(3-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136975203

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one (CID 135575672) is 5-amino-4-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one is Cc1ccc(CNc2nc[nH]c(=O)c2N)cc1.
What is the InChIKey of 5-amino-4-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is YDTPKROHGQTKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-8-2-4-9(5-3-8)6-14-11-10(13)12(17)16-7-15-11/h2-5,7H,6,13H2,1H3,(H2,14,15,16,17).
What are the key properties of 5-amino-4-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one?
5-amino-4-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 230.27 g/mol, XLogP of 1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 135575672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).