2-amino-6-[(3,4-dimethylphenyl)methylamino]-3-methylpyrimidin-4-one

C14H18N4O — CID 59900229

IUPAC2-amino-6-[(3,4-dimethylphenyl)methylamino]-3-methylpyrimidin-4-one
SMILESCc1ccc(CNc2cc(=O)n(C)c(N)n2)cc1C
InChIInChI=1S/C14H18N4O/c1-9-4-5-11(6-10(9)2)8-16-12-7-13(19)18(3)14(15)17-12/h4-7,16H,8H2,1-3H3,(H2,15,17)
InChIKeyLTSFCJTUDSPYMS-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.59
Rot. Bonds3

About 2-amino-6-[(3,4-dimethylphenyl)methylamino]-3-methylpyrimidin-4-one

2-amino-6-[(3,4-dimethylphenyl)methylamino]-3-methylpyrimidin-4-one (PubChem CID 59900229) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-amino-6-[(3,4-dimethylphenyl)methylamino]-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-[(3,4-dimethylphenyl)methylamino]-3-methylpyrimidin-4-one
PubChem CID59900229
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-amino-6-[(3,4-dimethylphenyl)methylamino]-3-methylpyrimidin-4-one
SMILESCc1ccc(CNc2cc(=O)n(C)c(N)n2)cc1C
InChIInChI=1S/C14H18N4O/c1-9-4-5-11(6-10(9)2)8-16-12-7-13(19)18(3)14(15)17-12/h4-7,16H,8H2,1-3H3,(H2,15,17)
InChIKeyLTSFCJTUDSPYMS-UHFFFAOYSA-N
XLogP1.59
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-6-[(3,4-dimethylphenyl)methylamino]-3-methylpyrimidin-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(3,4-dimethylphenyl)methylamino]-3-methylpyrimidin-4-one?
The IUPAC name of 2-amino-6-[(3,4-dimethylphenyl)methylamino]-3-methylpyrimidin-4-one (CID 59900229) is 2-amino-6-[(3,4-dimethylphenyl)methylamino]-3-methylpyrimidin-4-one.
What is the SMILES notation for 2-amino-6-[(3,4-dimethylphenyl)methylamino]-3-methylpyrimidin-4-one?
The canonical SMILES for 2-amino-6-[(3,4-dimethylphenyl)methylamino]-3-methylpyrimidin-4-one is Cc1ccc(CNc2cc(=O)n(C)c(N)n2)cc1C.
What is the InChIKey of 2-amino-6-[(3,4-dimethylphenyl)methylamino]-3-methylpyrimidin-4-one?
The InChIKey is LTSFCJTUDSPYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9-4-5-11(6-10(9)2)8-16-12-7-13(19)18(3)14(15)17-12/h4-7,16H,8H2,1-3H3,(H2,15,17).
What are the key properties of 2-amino-6-[(3,4-dimethylphenyl)methylamino]-3-methylpyrimidin-4-one?
2-amino-6-[(3,4-dimethylphenyl)methylamino]-3-methylpyrimidin-4-one has a molecular weight of 258.32 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(3,4-dimethylphenyl)methylamino]-3-methylpyrimidin-4-one is sourced from PubChem (CID 59900229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).