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

C16H20N2O2 — CID 123632825

IUPAC3-cyclobutyl-5-hydroxy-2-[(2-methylphenyl)methyl]-4,5-dihydropyrimidin-6-one
SMILESCc1ccccc1CC1=NC(=O)C(O)CN1C1CCC1
InChIInChI=1S/C16H20N2O2/c1-11-5-2-3-6-12(11)9-15-17-16(20)14(19)10-18(15)13-7-4-8-13/h2-3,5-6,13-14,19H,4,7-10H2,1H3
InChIKeyQLCVHMPGDLSPQQ-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.69
Rot. Bonds3

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

3-cyclobutyl-5-hydroxy-2-[(2-methylphenyl)methyl]-4,5-dihydropyrimidin-6-one (PubChem CID 123632825) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-cyclobutyl-5-hydroxy-2-[(2-methylphenyl)methyl]-4,5-dihydropyrimidin-6-one.

Molecular Properties

Compound Name3-cyclobutyl-5-hydroxy-2-[(2-methylphenyl)methyl]-4,5-dihydropyrimidin-6-one
PubChem CID123632825
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-cyclobutyl-5-hydroxy-2-[(2-methylphenyl)methyl]-4,5-dihydropyrimidin-6-one
SMILESCc1ccccc1CC1=NC(=O)C(O)CN1C1CCC1
InChIInChI=1S/C16H20N2O2/c1-11-5-2-3-6-12(11)9-15-17-16(20)14(19)10-18(15)13-7-4-8-13/h2-3,5-6,13-14,19H,4,7-10H2,1H3
InChIKeyQLCVHMPGDLSPQQ-UHFFFAOYSA-N
XLogP1.69
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.69
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-[(2-methylphenyl)methyl]-4,5-dihydropyrimidin-6-one?
The IUPAC name of 3-cyclobutyl-5-hydroxy-2-[(2-methylphenyl)methyl]-4,5-dihydropyrimidin-6-one (CID 123632825) is 3-cyclobutyl-5-hydroxy-2-[(2-methylphenyl)methyl]-4,5-dihydropyrimidin-6-one.
What is the SMILES notation for 3-cyclobutyl-5-hydroxy-2-[(2-methylphenyl)methyl]-4,5-dihydropyrimidin-6-one?
The canonical SMILES for 3-cyclobutyl-5-hydroxy-2-[(2-methylphenyl)methyl]-4,5-dihydropyrimidin-6-one is Cc1ccccc1CC1=NC(=O)C(O)CN1C1CCC1.
What is the InChIKey of 3-cyclobutyl-5-hydroxy-2-[(2-methylphenyl)methyl]-4,5-dihydropyrimidin-6-one?
The InChIKey is QLCVHMPGDLSPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11-5-2-3-6-12(11)9-15-17-16(20)14(19)10-18(15)13-7-4-8-13/h2-3,5-6,13-14,19H,4,7-10H2,1H3.
What are the key properties of 3-cyclobutyl-5-hydroxy-2-[(2-methylphenyl)methyl]-4,5-dihydropyrimidin-6-one?
3-cyclobutyl-5-hydroxy-2-[(2-methylphenyl)methyl]-4,5-dihydropyrimidin-6-one has a molecular weight of 272.35 g/mol, XLogP of 1.69, 3 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-[(2-methylphenyl)methyl]-4,5-dihydropyrimidin-6-one is sourced from PubChem (CID 123632825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).