3-cyclobutyl-5-hydroxy-2-(3-methylphenyl)-4,5-dihydropyrimidin-6-one

C15H18N2O2 — CID 123277494

IUPAC3-cyclobutyl-5-hydroxy-2-(3-methylphenyl)-4,5-dihydropyrimidin-6-one
SMILESCc1cccc(C2=NC(=O)C(O)CN2C2CCC2)c1
InChIInChI=1S/C15H18N2O2/c1-10-4-2-5-11(8-10)14-16-15(19)13(18)9-17(14)12-6-3-7-12/h2,4-5,8,12-13,18H,3,6-7,9H2,1H3
InChIKeyAGHWLANOTHCJNV-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.50
Rot. Bonds2

About 3-cyclobutyl-5-hydroxy-2-(3-methylphenyl)-4,5-dihydropyrimidin-6-one

3-cyclobutyl-5-hydroxy-2-(3-methylphenyl)-4,5-dihydropyrimidin-6-one (PubChem CID 123277494) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-cyclobutyl-5-hydroxy-2-(3-methylphenyl)-4,5-dihydropyrimidin-6-one.

Molecular Properties

Compound Name3-cyclobutyl-5-hydroxy-2-(3-methylphenyl)-4,5-dihydropyrimidin-6-one
PubChem CID123277494
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-cyclobutyl-5-hydroxy-2-(3-methylphenyl)-4,5-dihydropyrimidin-6-one
SMILESCc1cccc(C2=NC(=O)C(O)CN2C2CCC2)c1
InChIInChI=1S/C15H18N2O2/c1-10-4-2-5-11(8-10)14-16-15(19)13(18)9-17(14)12-6-3-7-12/h2,4-5,8,12-13,18H,3,6-7,9H2,1H3
InChIKeyAGHWLANOTHCJNV-UHFFFAOYSA-N
XLogP1.50
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-5-hydroxy-2-(3-methylphenyl)-4,5-dihydropyrimidin-6-one?
The IUPAC name of 3-cyclobutyl-5-hydroxy-2-(3-methylphenyl)-4,5-dihydropyrimidin-6-one (CID 123277494) is 3-cyclobutyl-5-hydroxy-2-(3-methylphenyl)-4,5-dihydropyrimidin-6-one.
What is the SMILES notation for 3-cyclobutyl-5-hydroxy-2-(3-methylphenyl)-4,5-dihydropyrimidin-6-one?
The canonical SMILES for 3-cyclobutyl-5-hydroxy-2-(3-methylphenyl)-4,5-dihydropyrimidin-6-one is Cc1cccc(C2=NC(=O)C(O)CN2C2CCC2)c1.
What is the InChIKey of 3-cyclobutyl-5-hydroxy-2-(3-methylphenyl)-4,5-dihydropyrimidin-6-one?
The InChIKey is AGHWLANOTHCJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10-4-2-5-11(8-10)14-16-15(19)13(18)9-17(14)12-6-3-7-12/h2,4-5,8,12-13,18H,3,6-7,9H2,1H3.
What are the key properties of 3-cyclobutyl-5-hydroxy-2-(3-methylphenyl)-4,5-dihydropyrimidin-6-one?
3-cyclobutyl-5-hydroxy-2-(3-methylphenyl)-4,5-dihydropyrimidin-6-one has a molecular weight of 258.32 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-5-hydroxy-2-(3-methylphenyl)-4,5-dihydropyrimidin-6-one is sourced from PubChem (CID 123277494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).