2-(methylamino)-4-phenyl-1H-pyrimidin-6-one

C11H11N3O — CID 135973621

IUPAC2-(methylamino)-4-phenyl-1H-pyrimidin-6-one
SMILESCNc1nc(-c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C11H11N3O/c1-12-11-13-9(7-10(15)14-11)8-5-3-2-4-6-8/h2-7H,1H3,(H2,12,13,14,15)
InChIKeyFCLQUHFGSJNESE-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.48
Rot. Bonds2

About 2-(methylamino)-4-phenyl-1H-pyrimidin-6-one

2-(methylamino)-4-phenyl-1H-pyrimidin-6-one (PubChem CID 135973621) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-(methylamino)-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(methylamino)-4-phenyl-1H-pyrimidin-6-one
PubChem CID135973621
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name2-(methylamino)-4-phenyl-1H-pyrimidin-6-one
SMILESCNc1nc(-c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C11H11N3O/c1-12-11-13-9(7-10(15)14-11)8-5-3-2-4-6-8/h2-7H,1H3,(H2,12,13,14,15)
InChIKeyFCLQUHFGSJNESE-UHFFFAOYSA-N
XLogP1.48
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(methylamino)-4-phenyl-1H-pyrimidin-6-one (CID 135973621) is 2-(methylamino)-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(methylamino)-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(methylamino)-4-phenyl-1H-pyrimidin-6-one is CNc1nc(-c2ccccc2)cc(=O)[nH]1.
What is the InChIKey of 2-(methylamino)-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is FCLQUHFGSJNESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-12-11-13-9(7-10(15)14-11)8-5-3-2-4-6-8/h2-7H,1H3,(H2,12,13,14,15).
What are the key properties of 2-(methylamino)-4-phenyl-1H-pyrimidin-6-one?
2-(methylamino)-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 201.23 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135973621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).