1-amino-6-methyl-4-(4-methylphenyl)pyrimidin-2-one

C12H13N3O — CID 13165300

IUPAC1-amino-6-methyl-4-(4-methylphenyl)pyrimidin-2-one
SMILESCc1ccc(-c2cc(C)n(N)c(=O)n2)cc1
InChIInChI=1S/C12H13N3O/c1-8-3-5-10(6-4-8)11-7-9(2)15(13)12(16)14-11/h3-7H,13H2,1-2H3
InChIKeyBVPQKVVTKRPDCQ-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.24
Rot. Bonds1

About 1-amino-6-methyl-4-(4-methylphenyl)pyrimidin-2-one

1-amino-6-methyl-4-(4-methylphenyl)pyrimidin-2-one (PubChem CID 13165300) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 1-amino-6-methyl-4-(4-methylphenyl)pyrimidin-2-one.

Molecular Properties

Compound Name1-amino-6-methyl-4-(4-methylphenyl)pyrimidin-2-one
PubChem CID13165300
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name1-amino-6-methyl-4-(4-methylphenyl)pyrimidin-2-one
SMILESCc1ccc(-c2cc(C)n(N)c(=O)n2)cc1
InChIInChI=1S/C12H13N3O/c1-8-3-5-10(6-4-8)11-7-9(2)15(13)12(16)14-11/h3-7H,13H2,1-2H3
InChIKeyBVPQKVVTKRPDCQ-UHFFFAOYSA-N
XLogP1.24
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-6-methyl-4-(4-methylphenyl)pyrimidin-2-one?
The IUPAC name of 1-amino-6-methyl-4-(4-methylphenyl)pyrimidin-2-one (CID 13165300) is 1-amino-6-methyl-4-(4-methylphenyl)pyrimidin-2-one.
What is the SMILES notation for 1-amino-6-methyl-4-(4-methylphenyl)pyrimidin-2-one?
The canonical SMILES for 1-amino-6-methyl-4-(4-methylphenyl)pyrimidin-2-one is Cc1ccc(-c2cc(C)n(N)c(=O)n2)cc1.
What is the InChIKey of 1-amino-6-methyl-4-(4-methylphenyl)pyrimidin-2-one?
The InChIKey is BVPQKVVTKRPDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-8-3-5-10(6-4-8)11-7-9(2)15(13)12(16)14-11/h3-7H,13H2,1-2H3.
What are the key properties of 1-amino-6-methyl-4-(4-methylphenyl)pyrimidin-2-one?
1-amino-6-methyl-4-(4-methylphenyl)pyrimidin-2-one has a molecular weight of 215.26 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-6-methyl-4-(4-methylphenyl)pyrimidin-2-one is sourced from PubChem (CID 13165300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).