2-butyl-4-hydroxy-1-(3-phenylmethoxyphenyl)-4,6-dihydropyrimidin-5-one

C21H24N2O3 — CID 123159516

IUPAC2-butyl-4-hydroxy-1-(3-phenylmethoxyphenyl)-4,6-dihydropyrimidin-5-one
SMILESCCCCC1=NC(O)C(=O)CN1c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C21H24N2O3/c1-2-3-12-20-22-21(25)19(24)14-23(20)17-10-7-11-18(13-17)26-15-16-8-5-4-6-9-16/h4-11,13,21,25H,2-3,12,14-15H2,1H3
InChIKeyUAYLKYKQHAWHQS-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.56
Rot. Bonds7

About 2-butyl-4-hydroxy-1-(3-phenylmethoxyphenyl)-4,6-dihydropyrimidin-5-one

2-butyl-4-hydroxy-1-(3-phenylmethoxyphenyl)-4,6-dihydropyrimidin-5-one (PubChem CID 123159516) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-butyl-4-hydroxy-1-(3-phenylmethoxyphenyl)-4,6-dihydropyrimidin-5-one.

Molecular Properties

Compound Name2-butyl-4-hydroxy-1-(3-phenylmethoxyphenyl)-4,6-dihydropyrimidin-5-one
PubChem CID123159516
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name2-butyl-4-hydroxy-1-(3-phenylmethoxyphenyl)-4,6-dihydropyrimidin-5-one
SMILESCCCCC1=NC(O)C(=O)CN1c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C21H24N2O3/c1-2-3-12-20-22-21(25)19(24)14-23(20)17-10-7-11-18(13-17)26-15-16-8-5-4-6-9-16/h4-11,13,21,25H,2-3,12,14-15H2,1H3
InChIKeyUAYLKYKQHAWHQS-UHFFFAOYSA-N
XLogP3.56
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-butyl-4-hydroxy-1-(3-phenylmethoxyphenyl)-4,6-dihydropyrimidin-5-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

2-ethyl-3-(3-phenylmethoxyphenyl)-4H-pyrimidine-5,6-diol
CID 70977692
1-butyl-3-(3-phenylmethoxyphenyl)imidazolidine-2-thione
CID 24797907
1-phenylmethoxy-3-propylbenzene
CID 58977798
(3R)-3-amino-1-(3-phenylmethoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 135389134
3-[(4-butylphenyl)methoxy]benzoic acid
CID 66912959
phenoxymethylbenzene;tetradecane
CID 175006528
1-phenyl-3-(4-phenylmethoxyphenyl)pyrrolidine-2,4-dione
CID 57032337
5-butyl-2-(4-phenylmethoxyphenyl)-4H-1,2,4-triazol-3-one
CID 135720083
N-[2-(3-phenylmethoxyphenyl)ethyl]pentanamide
CID 11823080
[5-oxo-1-(3-phenylmethoxyphenyl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677695
(4R)-5-butyl-3-(2-hydroxyphenyl)-4-(3-phenylmethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 136810843
2-oxo-N-(1-phenylethyl)-1-(3-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 46048961

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-hydroxy-1-(3-phenylmethoxyphenyl)-4,6-dihydropyrimidin-5-one?
The IUPAC name of 2-butyl-4-hydroxy-1-(3-phenylmethoxyphenyl)-4,6-dihydropyrimidin-5-one (CID 123159516) is 2-butyl-4-hydroxy-1-(3-phenylmethoxyphenyl)-4,6-dihydropyrimidin-5-one.
What is the SMILES notation for 2-butyl-4-hydroxy-1-(3-phenylmethoxyphenyl)-4,6-dihydropyrimidin-5-one?
The canonical SMILES for 2-butyl-4-hydroxy-1-(3-phenylmethoxyphenyl)-4,6-dihydropyrimidin-5-one is CCCCC1=NC(O)C(=O)CN1c1cccc(OCc2ccccc2)c1.
What is the InChIKey of 2-butyl-4-hydroxy-1-(3-phenylmethoxyphenyl)-4,6-dihydropyrimidin-5-one?
The InChIKey is UAYLKYKQHAWHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-2-3-12-20-22-21(25)19(24)14-23(20)17-10-7-11-18(13-17)26-15-16-8-5-4-6-9-16/h4-11,13,21,25H,2-3,12,14-15H2,1H3.
What are the key properties of 2-butyl-4-hydroxy-1-(3-phenylmethoxyphenyl)-4,6-dihydropyrimidin-5-one?
2-butyl-4-hydroxy-1-(3-phenylmethoxyphenyl)-4,6-dihydropyrimidin-5-one has a molecular weight of 352.43 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-hydroxy-1-(3-phenylmethoxyphenyl)-4,6-dihydropyrimidin-5-one is sourced from PubChem (CID 123159516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).