1-methyl-6-(2-phenylethylamino)-4-pyrimidin-4-ylpyridin-2-one

C18H18N4O — CID 53320116

IUPAC1-methyl-6-(2-phenylethylamino)-4-pyrimidin-4-ylpyridin-2-one
SMILESCn1c(NCCc2ccccc2)cc(-c2ccncn2)cc1=O
InChIInChI=1S/C18H18N4O/c1-22-17(20-10-7-14-5-3-2-4-6-14)11-15(12-18(22)23)16-8-9-19-13-21-16/h2-6,8-9,11-13,20H,7,10H2,1H3
InChIKeyWHMSCMGRRJBNQA-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.50
Rot. Bonds5

About 1-methyl-6-(2-phenylethylamino)-4-pyrimidin-4-ylpyridin-2-one

1-methyl-6-(2-phenylethylamino)-4-pyrimidin-4-ylpyridin-2-one (PubChem CID 53320116) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-methyl-6-(2-phenylethylamino)-4-pyrimidin-4-ylpyridin-2-one.

Molecular Properties

Compound Name1-methyl-6-(2-phenylethylamino)-4-pyrimidin-4-ylpyridin-2-one
PubChem CID53320116
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name1-methyl-6-(2-phenylethylamino)-4-pyrimidin-4-ylpyridin-2-one
SMILESCn1c(NCCc2ccccc2)cc(-c2ccncn2)cc1=O
InChIInChI=1S/C18H18N4O/c1-22-17(20-10-7-14-5-3-2-4-6-14)11-15(12-18(22)23)16-8-9-19-13-21-16/h2-6,8-9,11-13,20H,7,10H2,1H3
InChIKeyWHMSCMGRRJBNQA-UHFFFAOYSA-N
XLogP2.50
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(2-phenylethylamino)-4-pyrimidin-4-ylpyridin-2-one?
The IUPAC name of 1-methyl-6-(2-phenylethylamino)-4-pyrimidin-4-ylpyridin-2-one (CID 53320116) is 1-methyl-6-(2-phenylethylamino)-4-pyrimidin-4-ylpyridin-2-one.
What is the SMILES notation for 1-methyl-6-(2-phenylethylamino)-4-pyrimidin-4-ylpyridin-2-one?
The canonical SMILES for 1-methyl-6-(2-phenylethylamino)-4-pyrimidin-4-ylpyridin-2-one is Cn1c(NCCc2ccccc2)cc(-c2ccncn2)cc1=O.
What is the InChIKey of 1-methyl-6-(2-phenylethylamino)-4-pyrimidin-4-ylpyridin-2-one?
The InChIKey is WHMSCMGRRJBNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-22-17(20-10-7-14-5-3-2-4-6-14)11-15(12-18(22)23)16-8-9-19-13-21-16/h2-6,8-9,11-13,20H,7,10H2,1H3.
What are the key properties of 1-methyl-6-(2-phenylethylamino)-4-pyrimidin-4-ylpyridin-2-one?
1-methyl-6-(2-phenylethylamino)-4-pyrimidin-4-ylpyridin-2-one has a molecular weight of 306.37 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(2-phenylethylamino)-4-pyrimidin-4-ylpyridin-2-one is sourced from PubChem (CID 53320116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).