3-cyclopentyl-5-hydroxy-2-(4-phenylphenyl)-4,5-dihydropyrimidin-6-one

C21H22N2O2 — CID 123533502

IUPAC3-cyclopentyl-5-hydroxy-2-(4-phenylphenyl)-4,5-dihydropyrimidin-6-one
SMILESO=C1N=C(c2ccc(-c3ccccc3)cc2)N(C2CCCC2)CC1O
InChIInChI=1S/C21H22N2O2/c24-19-14-23(18-8-4-5-9-18)20(22-21(19)25)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-3,6-7,10-13,18-19,24H,4-5,8-9,14H2
InChIKeyHESBOCUUVDMDCJ-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.25
Rot. Bonds3

About 3-cyclopentyl-5-hydroxy-2-(4-phenylphenyl)-4,5-dihydropyrimidin-6-one

3-cyclopentyl-5-hydroxy-2-(4-phenylphenyl)-4,5-dihydropyrimidin-6-one (PubChem CID 123533502) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-cyclopentyl-5-hydroxy-2-(4-phenylphenyl)-4,5-dihydropyrimidin-6-one.

Molecular Properties

Compound Name3-cyclopentyl-5-hydroxy-2-(4-phenylphenyl)-4,5-dihydropyrimidin-6-one
PubChem CID123533502
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name3-cyclopentyl-5-hydroxy-2-(4-phenylphenyl)-4,5-dihydropyrimidin-6-one
SMILESO=C1N=C(c2ccc(-c3ccccc3)cc2)N(C2CCCC2)CC1O
InChIInChI=1S/C21H22N2O2/c24-19-14-23(18-8-4-5-9-18)20(22-21(19)25)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-3,6-7,10-13,18-19,24H,4-5,8-9,14H2
InChIKeyHESBOCUUVDMDCJ-UHFFFAOYSA-N
XLogP3.25
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5-hydroxy-2-(4-phenylphenyl)-4,5-dihydropyrimidin-6-one?
The IUPAC name of 3-cyclopentyl-5-hydroxy-2-(4-phenylphenyl)-4,5-dihydropyrimidin-6-one (CID 123533502) is 3-cyclopentyl-5-hydroxy-2-(4-phenylphenyl)-4,5-dihydropyrimidin-6-one.
What is the SMILES notation for 3-cyclopentyl-5-hydroxy-2-(4-phenylphenyl)-4,5-dihydropyrimidin-6-one?
The canonical SMILES for 3-cyclopentyl-5-hydroxy-2-(4-phenylphenyl)-4,5-dihydropyrimidin-6-one is O=C1N=C(c2ccc(-c3ccccc3)cc2)N(C2CCCC2)CC1O.
What is the InChIKey of 3-cyclopentyl-5-hydroxy-2-(4-phenylphenyl)-4,5-dihydropyrimidin-6-one?
The InChIKey is HESBOCUUVDMDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c24-19-14-23(18-8-4-5-9-18)20(22-21(19)25)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-3,6-7,10-13,18-19,24H,4-5,8-9,14H2.
What are the key properties of 3-cyclopentyl-5-hydroxy-2-(4-phenylphenyl)-4,5-dihydropyrimidin-6-one?
3-cyclopentyl-5-hydroxy-2-(4-phenylphenyl)-4,5-dihydropyrimidin-6-one has a molecular weight of 334.42 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5-hydroxy-2-(4-phenylphenyl)-4,5-dihydropyrimidin-6-one is sourced from PubChem (CID 123533502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).