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

C15H22N4O — CID 158415055

IUPAC2-amino-6-[(3,4-dimethylphenyl)methylamino]-3-methylpyrimidin-4-one;methane
SMILESC.Cc1ccc(CNc2cc(=O)n(C)c(N)n2)cc1C
InChIInChI=1S/C14H18N4O.CH4/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);1H4
InChIKeyGZUBSWMJVXZELL-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.23
Rot. Bonds3

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

2-amino-6-[(3,4-dimethylphenyl)methylamino]-3-methylpyrimidin-4-one;methane (PubChem CID 158415055) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-amino-6-[(3,4-dimethylphenyl)methylamino]-3-methylpyrimidin-4-one;methane.

Molecular Properties

Compound Name2-amino-6-[(3,4-dimethylphenyl)methylamino]-3-methylpyrimidin-4-one;methane
PubChem CID158415055
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-amino-6-[(3,4-dimethylphenyl)methylamino]-3-methylpyrimidin-4-one;methane
SMILESC.Cc1ccc(CNc2cc(=O)n(C)c(N)n2)cc1C
InChIInChI=1S/C14H18N4O.CH4/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);1H4
InChIKeyGZUBSWMJVXZELL-UHFFFAOYSA-N
XLogP2.23
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(3,4-dimethylphenyl)methylamino]-3-methylpyrimidin-4-one;methane?
The IUPAC name of 2-amino-6-[(3,4-dimethylphenyl)methylamino]-3-methylpyrimidin-4-one;methane (CID 158415055) is 2-amino-6-[(3,4-dimethylphenyl)methylamino]-3-methylpyrimidin-4-one;methane.
What is the SMILES notation for 2-amino-6-[(3,4-dimethylphenyl)methylamino]-3-methylpyrimidin-4-one;methane?
The canonical SMILES for 2-amino-6-[(3,4-dimethylphenyl)methylamino]-3-methylpyrimidin-4-one;methane is C.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;methane?
The InChIKey is GZUBSWMJVXZELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O.CH4/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);1H4.
What are the key properties of 2-amino-6-[(3,4-dimethylphenyl)methylamino]-3-methylpyrimidin-4-one;methane?
2-amino-6-[(3,4-dimethylphenyl)methylamino]-3-methylpyrimidin-4-one;methane has a molecular weight of 274.37 g/mol, XLogP of 2.23, 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;methane is sourced from PubChem (CID 158415055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).