4-benzyl-2-[3-(4-hydroxyphenyl)propylamino]-1H-pyrimidin-6-one

C20H21N3O2 — CID 142400663

IUPAC4-benzyl-2-[3-(4-hydroxyphenyl)propylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(Cc2ccccc2)nc(NCCCc2ccc(O)cc2)[nH]1
InChIInChI=1S/C20H21N3O2/c24-18-10-8-15(9-11-18)7-4-12-21-20-22-17(14-19(25)23-20)13-16-5-2-1-3-6-16/h1-3,5-6,8-11,14,24H,4,7,12-13H2,(H2,21,22,23,25)
InChIKeyNKKPHMAQBCLFIS-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.11
Rot. Bonds7

About 4-benzyl-2-[3-(4-hydroxyphenyl)propylamino]-1H-pyrimidin-6-one

4-benzyl-2-[3-(4-hydroxyphenyl)propylamino]-1H-pyrimidin-6-one (PubChem CID 142400663) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-benzyl-2-[3-(4-hydroxyphenyl)propylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-benzyl-2-[3-(4-hydroxyphenyl)propylamino]-1H-pyrimidin-6-one
PubChem CID142400663
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name4-benzyl-2-[3-(4-hydroxyphenyl)propylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(Cc2ccccc2)nc(NCCCc2ccc(O)cc2)[nH]1
InChIInChI=1S/C20H21N3O2/c24-18-10-8-15(9-11-18)7-4-12-21-20-22-17(14-19(25)23-20)13-16-5-2-1-3-6-16/h1-3,5-6,8-11,14,24H,4,7,12-13H2,(H2,21,22,23,25)
InChIKeyNKKPHMAQBCLFIS-UHFFFAOYSA-N
XLogP3.11
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-benzyl-2-[3-(4-hydroxyphenyl)propylamino]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-oxo-4-(4-phenylbutyl)-1H-pyrimidin-2-yl]acetamide
CID 135483277
4-methyl-2-(2-phenylethylamino)-1H-pyrimidin-6-one
CID 135527667
4-benzyl-2-[[(2R)-2-(dimethylamino)-3-phenylpropyl]amino]-1H-pyrimidin-6-one
CID 146512786
2-(3-naphthalen-2-ylpropylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135443433
6-chloro-N-(3-phenylpropyl)-1H-benzimidazol-2-amine
CID 82564399
2-[[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]amino]-4-(naphthalen-2-ylmethyl)-1H-pyrimidin-6-one
CID 137314963
2-[[2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]amino]-4-(naphthalen-2-ylmethyl)-1H-pyrimidin-6-one
CID 146513122
4-benzyl-2-methoxy-1H-pyrimidin-6-one
CID 135483738
2-(6-aminohexylamino)-4-phenyl-1H-pyrimidin-6-one
CID 136925145
4-benzyl-2-(4-hydroxybutylsulfanyl)-1H-pyrimidin-6-one
CID 135471539
4-butyl-2-(4-hydroxyanilino)-1H-pyrimidin-6-one
CID 136780144
2-benzyl-N-[3-(4-hydroxyphenyl)propyl]-1,3-thiazole-4-carboxamide
CID 86973043

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-[3-(4-hydroxyphenyl)propylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-benzyl-2-[3-(4-hydroxyphenyl)propylamino]-1H-pyrimidin-6-one (CID 142400663) is 4-benzyl-2-[3-(4-hydroxyphenyl)propylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-benzyl-2-[3-(4-hydroxyphenyl)propylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-benzyl-2-[3-(4-hydroxyphenyl)propylamino]-1H-pyrimidin-6-one is O=c1cc(Cc2ccccc2)nc(NCCCc2ccc(O)cc2)[nH]1.
What is the InChIKey of 4-benzyl-2-[3-(4-hydroxyphenyl)propylamino]-1H-pyrimidin-6-one?
The InChIKey is NKKPHMAQBCLFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c24-18-10-8-15(9-11-18)7-4-12-21-20-22-17(14-19(25)23-20)13-16-5-2-1-3-6-16/h1-3,5-6,8-11,14,24H,4,7,12-13H2,(H2,21,22,23,25).
What are the key properties of 4-benzyl-2-[3-(4-hydroxyphenyl)propylamino]-1H-pyrimidin-6-one?
4-benzyl-2-[3-(4-hydroxyphenyl)propylamino]-1H-pyrimidin-6-one has a molecular weight of 335.41 g/mol, XLogP of 3.11, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-[3-(4-hydroxyphenyl)propylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 142400663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).