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

C18H17N3O — CID 135459328

IUPAC2-(benzylamino)-4-(4-methylphenyl)-1H-pyrimidin-6-one
SMILESCc1ccc(-c2cc(=O)[nH]c(NCc3ccccc3)n2)cc1
InChIInChI=1S/C18H17N3O/c1-13-7-9-15(10-8-13)16-11-17(22)21-18(20-16)19-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H2,19,20,21,22)
InChIKeyHSPOJRLBEBITSC-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.36
Rot. Bonds4

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

2-(benzylamino)-4-(4-methylphenyl)-1H-pyrimidin-6-one (PubChem CID 135459328) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(benzylamino)-4-(4-methylphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(benzylamino)-4-(4-methylphenyl)-1H-pyrimidin-6-one
PubChem CID135459328
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name2-(benzylamino)-4-(4-methylphenyl)-1H-pyrimidin-6-one
SMILESCc1ccc(-c2cc(=O)[nH]c(NCc3ccccc3)n2)cc1
InChIInChI=1S/C18H17N3O/c1-13-7-9-15(10-8-13)16-11-17(22)21-18(20-16)19-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H2,19,20,21,22)
InChIKeyHSPOJRLBEBITSC-UHFFFAOYSA-N
XLogP3.36
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.36
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
6-Methyl-2-[(phenylmethyl)amino]-4(3H)-pyrimidinone
CID 135421723
2-Phenethylamino-6-propyl-3H-pyrimidin-4-one
CID 135424365
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-(4-benzylpiperazin-1-yl)-6-methylpyrimidin-4(3H)-one
CID 135414578
2-amino-4-(4-phenylphenyl)-1H-pyrimidin-6-one
CID 135443857
2-(benzylamino)-6-methyl-5-(3-methylbutyl)pyrimidin-4(3H)-one
CID 135448707
2-[4-(diphenylmethyl)piperazin-1-yl]-6-methylpyrimidin-4(3H)-one
CID 135485468
2-(4-benzylpiperazin-1-yl)-5,6-dimethylpyrimidin-4(3H)-one
CID 135491353
2-(4-benzylpiperazin-1-yl)-5-ethyl-6-methylpyrimidin-4(3H)-one
CID 135497598

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-4-(4-methylphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(benzylamino)-4-(4-methylphenyl)-1H-pyrimidin-6-one (CID 135459328) is 2-(benzylamino)-4-(4-methylphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(benzylamino)-4-(4-methylphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(benzylamino)-4-(4-methylphenyl)-1H-pyrimidin-6-one is Cc1ccc(-c2cc(=O)[nH]c(NCc3ccccc3)n2)cc1.
What is the InChIKey of 2-(benzylamino)-4-(4-methylphenyl)-1H-pyrimidin-6-one?
The InChIKey is HSPOJRLBEBITSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-13-7-9-15(10-8-13)16-11-17(22)21-18(20-16)19-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H2,19,20,21,22).
What are the key properties of 2-(benzylamino)-4-(4-methylphenyl)-1H-pyrimidin-6-one?
2-(benzylamino)-4-(4-methylphenyl)-1H-pyrimidin-6-one has a molecular weight of 291.35 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-4-(4-methylphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135459328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).