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

C13H15N3O — CID 135527667

IUPAC4-methyl-2-(2-phenylethylamino)-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(NCCc2ccccc2)n1
InChIInChI=1S/C13H15N3O/c1-10-9-12(17)16-13(15-10)14-8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,14,15,16,17)
InChIKeyGNWBNPVBTAFLNK-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.73
Rot. Bonds4

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

4-methyl-2-(2-phenylethylamino)-1H-pyrimidin-6-one (PubChem CID 135527667) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-methyl-2-(2-phenylethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-(2-phenylethylamino)-1H-pyrimidin-6-one
PubChem CID135527667
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name4-methyl-2-(2-phenylethylamino)-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(NCCc2ccccc2)n1
InChIInChI=1S/C13H15N3O/c1-10-9-12(17)16-13(15-10)14-8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,14,15,16,17)
InChIKeyGNWBNPVBTAFLNK-UHFFFAOYSA-N
XLogP1.73
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-4-methyl-1H-pyrimidin-6-one
CID 135840406
2-[2-(dimethylamino)ethylamino]-4-methyl-1H-pyrimidin-6-one
CID 135462793
2-[(2-chlorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one
CID 135764107
2-[(2-methoxyphenyl)methylamino]-4-methyl-1H-pyrimidin-6-one
CID 135816304
2,6-dimethyl-4-(2-phenylethylamino)pyridine-3-carboxylic acid
CID 81051961
4-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(2-phenylethylamino)-1H-pyrimidin-6-one
CID 135649679
4-[[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]methyl]benzoic acid
CID 135610198
2-benzyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine
CID 135417572
benzyl N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoyl]carbamate
CID 166785590
4-benzyl-2-[3-(4-hydroxyphenyl)propylamino]-1H-pyrimidin-6-one
CID 142400663
4,6-dimethyl-2-(2-phenylethylamino)pyridine-3-carbonitrile
CID 32677882
2-benzylselanyl-4-methyl-1H-pyrimidin-6-one
CID 136704053

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-phenylethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-(2-phenylethylamino)-1H-pyrimidin-6-one (CID 135527667) is 4-methyl-2-(2-phenylethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-(2-phenylethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-(2-phenylethylamino)-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(NCCc2ccccc2)n1.
What is the InChIKey of 4-methyl-2-(2-phenylethylamino)-1H-pyrimidin-6-one?
The InChIKey is GNWBNPVBTAFLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-10-9-12(17)16-13(15-10)14-8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-methyl-2-(2-phenylethylamino)-1H-pyrimidin-6-one?
4-methyl-2-(2-phenylethylamino)-1H-pyrimidin-6-one has a molecular weight of 229.28 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-phenylethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135527667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).