2-(4-cyclohexylphenyl)-4-hydroxy-1H-pyrimidin-6-one

C16H18N2O2 — CID 67281704

IUPAC2-(4-cyclohexylphenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(-c2ccc(C3CCCCC3)cc2)[nH]1
InChIInChI=1S/C16H18N2O2/c19-14-10-15(20)18-16(17-14)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-11H,1-5H2,(H2,17,18,19,20)
InChIKeyMNSBSMIWCRPHSW-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.19
Rot. Bonds2

About 2-(4-cyclohexylphenyl)-4-hydroxy-1H-pyrimidin-6-one

2-(4-cyclohexylphenyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 67281704) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(4-cyclohexylphenyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-cyclohexylphenyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID67281704
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-(4-cyclohexylphenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(-c2ccc(C3CCCCC3)cc2)[nH]1
InChIInChI=1S/C16H18N2O2/c19-14-10-15(20)18-16(17-14)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-11H,1-5H2,(H2,17,18,19,20)
InChIKeyMNSBSMIWCRPHSW-UHFFFAOYSA-N
XLogP3.19
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylphenyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-cyclohexylphenyl)-4-hydroxy-1H-pyrimidin-6-one (CID 67281704) is 2-(4-cyclohexylphenyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-cyclohexylphenyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-cyclohexylphenyl)-4-hydroxy-1H-pyrimidin-6-one is O=c1cc(O)nc(-c2ccc(C3CCCCC3)cc2)[nH]1.
What is the InChIKey of 2-(4-cyclohexylphenyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is MNSBSMIWCRPHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-14-10-15(20)18-16(17-14)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-11H,1-5H2,(H2,17,18,19,20).
What are the key properties of 2-(4-cyclohexylphenyl)-4-hydroxy-1H-pyrimidin-6-one?
2-(4-cyclohexylphenyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 270.33 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylphenyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 67281704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).