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

C17H15N3O — CID 135773838

IUPAC2-(benzylamino)-4-phenyl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccccc2)nc(NCc2ccccc2)[nH]1
InChIInChI=1S/C17H15N3O/c21-16-11-15(14-9-5-2-6-10-14)19-17(20-16)18-12-13-7-3-1-4-8-13/h1-11H,12H2,(H2,18,19,20,21)
InChIKeyVUGHSKNAAGOYPL-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.05
Rot. Bonds4

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

2-(benzylamino)-4-phenyl-1H-pyrimidin-6-one (PubChem CID 135773838) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-(benzylamino)-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(benzylamino)-4-phenyl-1H-pyrimidin-6-one
PubChem CID135773838
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name2-(benzylamino)-4-phenyl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccccc2)nc(NCc2ccccc2)[nH]1
InChIInChI=1S/C17H15N3O/c21-16-11-15(14-9-5-2-6-10-14)19-17(20-16)18-12-13-7-3-1-4-8-13/h1-11H,12H2,(H2,18,19,20,21)
InChIKeyVUGHSKNAAGOYPL-UHFFFAOYSA-N
XLogP3.05
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylamino)-4-[(2,6-difluorophenyl)methyl]-1H-pyrimidin-6-one
CID 135402830
2-Amino-6-(2-phenylethyl)pyrimidin-4(3h)-one
CID 135408658
6-Methyl-2-[(phenylmethyl)amino]-4(3H)-pyrimidinone
CID 135421723
6-Phenylpyrimidin-4-ol
CID 135418832
2-Phenethylamino-6-propyl-3H-pyrimidin-4-one
CID 135424365
2-(Benzylamino)-6-(4-methylphenyl)-4-pyrimidinol
CID 135459328
2-{[(4-Chlorophenyl)methyl]amino}-6-methyl-3,4-dihydropyrimidin-4-one
CID 135459601
2-(4-Benzylpiperazin-1-yl)-4-hydroxy-6-phenylpyrimidine-5-carbonitrile
CID 135577790
2-Amino-6-benzyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(1H)-one
CID 135441852
2-Imino-5-methyl-6-phenyl-1,2-dihydropyrimidin-4-ol
CID 135449835
2-Amino-6-phenylpyrimidin-4-ol
CID 135420365
2-[(2-phenylethyl)amino]-4(3H)-pyrimidinone
CID 728246

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(benzylamino)-4-phenyl-1H-pyrimidin-6-one (CID 135773838) is 2-(benzylamino)-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(benzylamino)-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(benzylamino)-4-phenyl-1H-pyrimidin-6-one is O=c1cc(-c2ccccc2)nc(NCc2ccccc2)[nH]1.
What is the InChIKey of 2-(benzylamino)-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is VUGHSKNAAGOYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c21-16-11-15(14-9-5-2-6-10-14)19-17(20-16)18-12-13-7-3-1-4-8-13/h1-11H,12H2,(H2,18,19,20,21).
What are the key properties of 2-(benzylamino)-4-phenyl-1H-pyrimidin-6-one?
2-(benzylamino)-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 277.33 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135773838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).