2-[(4-methylphenyl)methylamino]-4-propan-2-yl-1H-pyrimidin-6-one

C15H19N3O — CID 136779642

IUPAC2-[(4-methylphenyl)methylamino]-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1ccc(CNc2nc(C(C)C)cc(=O)[nH]2)cc1
InChIInChI=1S/C15H19N3O/c1-10(2)13-8-14(19)18-15(17-13)16-9-12-6-4-11(3)5-7-12/h4-8,10H,9H2,1-3H3,(H2,16,17,18,19)
InChIKeyRPXZEDSAHJPRLK-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.81
Rot. Bonds4

About 2-[(4-methylphenyl)methylamino]-4-propan-2-yl-1H-pyrimidin-6-one

2-[(4-methylphenyl)methylamino]-4-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136779642) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methylamino]-4-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(4-methylphenyl)methylamino]-4-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136779642
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[(4-methylphenyl)methylamino]-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1ccc(CNc2nc(C(C)C)cc(=O)[nH]2)cc1
InChIInChI=1S/C15H19N3O/c1-10(2)13-8-14(19)18-15(17-13)16-9-12-6-4-11(3)5-7-12/h4-8,10H,9H2,1-3H3,(H2,16,17,18,19)
InChIKeyRPXZEDSAHJPRLK-UHFFFAOYSA-N
XLogP2.81
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(butylamino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136779799
4-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-2-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one
CID 136860894
2-(5-hydroxypentylamino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136780006
2-(6-aminohexylamino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136925187
4-propan-2-yl-2-(3-propan-2-yloxypropylamino)-1H-pyrimidin-6-one
CID 136779988
4-[[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]methyl]benzoic acid
CID 135610198
2-[2-(cyclohexen-1-yl)ethylamino]-4-propan-2-yl-1H-pyrimidin-6-one
CID 136780162
2-(4-fluoroanilino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136740970
4-[(3S)-1-cyclohexyl-5-oxopyrrolidin-3-yl]-2-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one
CID 136860896
4-[(1S)-1-(benzimidazol-1-yl)ethyl]-2-[(4-methoxyphenyl)methylamino]-1H-pyrimidin-6-one
CID 136891586
N-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)nitramide
CID 136668766
2-(4-anilinoanilino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136778987

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methylamino]-4-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(4-methylphenyl)methylamino]-4-propan-2-yl-1H-pyrimidin-6-one (CID 136779642) is 2-[(4-methylphenyl)methylamino]-4-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(4-methylphenyl)methylamino]-4-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(4-methylphenyl)methylamino]-4-propan-2-yl-1H-pyrimidin-6-one is Cc1ccc(CNc2nc(C(C)C)cc(=O)[nH]2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methylamino]-4-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is RPXZEDSAHJPRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10(2)13-8-14(19)18-15(17-13)16-9-12-6-4-11(3)5-7-12/h4-8,10H,9H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-[(4-methylphenyl)methylamino]-4-propan-2-yl-1H-pyrimidin-6-one?
2-[(4-methylphenyl)methylamino]-4-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 257.34 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methylamino]-4-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136779642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).