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

C17H22N2O2 — CID 123171163

IUPAC3-cyclohexyl-5-hydroxy-2-(3-methylphenyl)-4,5-dihydropyrimidin-6-one
SMILESCc1cccc(C2=NC(=O)C(O)CN2C2CCCCC2)c1
InChIInChI=1S/C17H22N2O2/c1-12-6-5-7-13(10-12)16-18-17(21)15(20)11-19(16)14-8-3-2-4-9-14/h5-7,10,14-15,20H,2-4,8-9,11H2,1H3
InChIKeyWDPDMYAZPFZMBV-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.28
Rot. Bonds2

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

3-cyclohexyl-5-hydroxy-2-(3-methylphenyl)-4,5-dihydropyrimidin-6-one (PubChem CID 123171163) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-cyclohexyl-5-hydroxy-2-(3-methylphenyl)-4,5-dihydropyrimidin-6-one.

Molecular Properties

Compound Name3-cyclohexyl-5-hydroxy-2-(3-methylphenyl)-4,5-dihydropyrimidin-6-one
PubChem CID123171163
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name3-cyclohexyl-5-hydroxy-2-(3-methylphenyl)-4,5-dihydropyrimidin-6-one
SMILESCc1cccc(C2=NC(=O)C(O)CN2C2CCCCC2)c1
InChIInChI=1S/C17H22N2O2/c1-12-6-5-7-13(10-12)16-18-17(21)15(20)11-19(16)14-8-3-2-4-9-14/h5-7,10,14-15,20H,2-4,8-9,11H2,1H3
InChIKeyWDPDMYAZPFZMBV-UHFFFAOYSA-N
XLogP2.28
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-hydroxy-2-(3-methylphenyl)-4,5-dihydropyrimidin-6-one?
The IUPAC name of 3-cyclohexyl-5-hydroxy-2-(3-methylphenyl)-4,5-dihydropyrimidin-6-one (CID 123171163) is 3-cyclohexyl-5-hydroxy-2-(3-methylphenyl)-4,5-dihydropyrimidin-6-one.
What is the SMILES notation for 3-cyclohexyl-5-hydroxy-2-(3-methylphenyl)-4,5-dihydropyrimidin-6-one?
The canonical SMILES for 3-cyclohexyl-5-hydroxy-2-(3-methylphenyl)-4,5-dihydropyrimidin-6-one is Cc1cccc(C2=NC(=O)C(O)CN2C2CCCCC2)c1.
What is the InChIKey of 3-cyclohexyl-5-hydroxy-2-(3-methylphenyl)-4,5-dihydropyrimidin-6-one?
The InChIKey is WDPDMYAZPFZMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-6-5-7-13(10-12)16-18-17(21)15(20)11-19(16)14-8-3-2-4-9-14/h5-7,10,14-15,20H,2-4,8-9,11H2,1H3.
What are the key properties of 3-cyclohexyl-5-hydroxy-2-(3-methylphenyl)-4,5-dihydropyrimidin-6-one?
3-cyclohexyl-5-hydroxy-2-(3-methylphenyl)-4,5-dihydropyrimidin-6-one has a molecular weight of 286.38 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-hydroxy-2-(3-methylphenyl)-4,5-dihydropyrimidin-6-one is sourced from PubChem (CID 123171163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).