4-hydroxy-2-(4-methylcyclohexyl)-5-propan-2-yl-1H-pyrimidin-6-one

C14H22N2O2 — CID 63611443

IUPAC4-hydroxy-2-(4-methylcyclohexyl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC1CCC(c2nc(O)c(C(C)C)c(=O)[nH]2)CC1
InChIInChI=1S/C14H22N2O2/c1-8(2)11-13(17)15-12(16-14(11)18)10-6-4-9(3)5-7-10/h8-10H,4-7H2,1-3H3,(H2,15,16,17,18)
InChIKeyHUVIAGFYYQTWFV-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.89
Rot. Bonds2

About 4-hydroxy-2-(4-methylcyclohexyl)-5-propan-2-yl-1H-pyrimidin-6-one

4-hydroxy-2-(4-methylcyclohexyl)-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 63611443) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-hydroxy-2-(4-methylcyclohexyl)-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(4-methylcyclohexyl)-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID63611443
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-hydroxy-2-(4-methylcyclohexyl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC1CCC(c2nc(O)c(C(C)C)c(=O)[nH]2)CC1
InChIInChI=1S/C14H22N2O2/c1-8(2)11-13(17)15-12(16-14(11)18)10-6-4-9(3)5-7-10/h8-10H,4-7H2,1-3H3,(H2,15,16,17,18)
InChIKeyHUVIAGFYYQTWFV-UHFFFAOYSA-N
XLogP2.89
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(4-methylcyclohexyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(4-methylcyclohexyl)-5-propan-2-yl-1H-pyrimidin-6-one (CID 63611443) is 4-hydroxy-2-(4-methylcyclohexyl)-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(4-methylcyclohexyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(4-methylcyclohexyl)-5-propan-2-yl-1H-pyrimidin-6-one is CC1CCC(c2nc(O)c(C(C)C)c(=O)[nH]2)CC1.
What is the InChIKey of 4-hydroxy-2-(4-methylcyclohexyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is HUVIAGFYYQTWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-8(2)11-13(17)15-12(16-14(11)18)10-6-4-9(3)5-7-10/h8-10H,4-7H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-hydroxy-2-(4-methylcyclohexyl)-5-propan-2-yl-1H-pyrimidin-6-one?
4-hydroxy-2-(4-methylcyclohexyl)-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 250.34 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(4-methylcyclohexyl)-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 63611443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).