5-cyclohexyl-4-hydroxy-2-(2-methyloctan-2-yl)-1H-pyrimidin-6-one

C19H32N2O2 — CID 44513469

IUPAC5-cyclohexyl-4-hydroxy-2-(2-methyloctan-2-yl)-1H-pyrimidin-6-one
SMILESCCCCCCC(C)(C)c1nc(O)c(C2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C19H32N2O2/c1-4-5-6-10-13-19(2,3)18-20-16(22)15(17(23)21-18)14-11-8-7-9-12-14/h14H,4-13H2,1-3H3,(H2,20,21,22,23)
InChIKeyKPWQNROMNMXPBX-UHFFFAOYSA-N
MW320.48 g/mol
LogP4.77
Rot. Bonds7

About 5-cyclohexyl-4-hydroxy-2-(2-methyloctan-2-yl)-1H-pyrimidin-6-one

5-cyclohexyl-4-hydroxy-2-(2-methyloctan-2-yl)-1H-pyrimidin-6-one (PubChem CID 44513469) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 5-cyclohexyl-4-hydroxy-2-(2-methyloctan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-cyclohexyl-4-hydroxy-2-(2-methyloctan-2-yl)-1H-pyrimidin-6-one
PubChem CID44513469
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name5-cyclohexyl-4-hydroxy-2-(2-methyloctan-2-yl)-1H-pyrimidin-6-one
SMILESCCCCCCC(C)(C)c1nc(O)c(C2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C19H32N2O2/c1-4-5-6-10-13-19(2,3)18-20-16(22)15(17(23)21-18)14-11-8-7-9-12-14/h14H,4-13H2,1-3H3,(H2,20,21,22,23)
InChIKeyKPWQNROMNMXPBX-UHFFFAOYSA-N
XLogP4.77
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-4-hydroxy-2-(2-methyloctan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-cyclohexyl-4-hydroxy-2-(2-methyloctan-2-yl)-1H-pyrimidin-6-one (CID 44513469) is 5-cyclohexyl-4-hydroxy-2-(2-methyloctan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-cyclohexyl-4-hydroxy-2-(2-methyloctan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-cyclohexyl-4-hydroxy-2-(2-methyloctan-2-yl)-1H-pyrimidin-6-one is CCCCCCC(C)(C)c1nc(O)c(C2CCCCC2)c(=O)[nH]1.
What is the InChIKey of 5-cyclohexyl-4-hydroxy-2-(2-methyloctan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is KPWQNROMNMXPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-4-5-6-10-13-19(2,3)18-20-16(22)15(17(23)21-18)14-11-8-7-9-12-14/h14H,4-13H2,1-3H3,(H2,20,21,22,23).
What are the key properties of 5-cyclohexyl-4-hydroxy-2-(2-methyloctan-2-yl)-1H-pyrimidin-6-one?
5-cyclohexyl-4-hydroxy-2-(2-methyloctan-2-yl)-1H-pyrimidin-6-one has a molecular weight of 320.48 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-4-hydroxy-2-(2-methyloctan-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 44513469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).