6-cyclohexyl-5-methyl-4-propan-2-yl-1H-pyrimidin-2-one

C14H22N2O — CID 25027289

IUPAC6-cyclohexyl-5-methyl-4-propan-2-yl-1H-pyrimidin-2-one
SMILESCc1c(C(C)C)nc(=O)[nH]c1C1CCCCC1
InChIInChI=1S/C14H22N2O/c1-9(2)12-10(3)13(16-14(17)15-12)11-7-5-4-6-8-11/h9,11H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyXGKZPVWKOJVSFD-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.25
Rot. Bonds2

About 6-cyclohexyl-5-methyl-4-propan-2-yl-1H-pyrimidin-2-one

6-cyclohexyl-5-methyl-4-propan-2-yl-1H-pyrimidin-2-one (PubChem CID 25027289) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 6-cyclohexyl-5-methyl-4-propan-2-yl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-cyclohexyl-5-methyl-4-propan-2-yl-1H-pyrimidin-2-one
PubChem CID25027289
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name6-cyclohexyl-5-methyl-4-propan-2-yl-1H-pyrimidin-2-one
SMILESCc1c(C(C)C)nc(=O)[nH]c1C1CCCCC1
InChIInChI=1S/C14H22N2O/c1-9(2)12-10(3)13(16-14(17)15-12)11-7-5-4-6-8-11/h9,11H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyXGKZPVWKOJVSFD-UHFFFAOYSA-N
XLogP3.25
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 177071428
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CID 13058913
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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-5-methyl-4-propan-2-yl-1H-pyrimidin-2-one?
The IUPAC name of 6-cyclohexyl-5-methyl-4-propan-2-yl-1H-pyrimidin-2-one (CID 25027289) is 6-cyclohexyl-5-methyl-4-propan-2-yl-1H-pyrimidin-2-one.
What is the SMILES notation for 6-cyclohexyl-5-methyl-4-propan-2-yl-1H-pyrimidin-2-one?
The canonical SMILES for 6-cyclohexyl-5-methyl-4-propan-2-yl-1H-pyrimidin-2-one is Cc1c(C(C)C)nc(=O)[nH]c1C1CCCCC1.
What is the InChIKey of 6-cyclohexyl-5-methyl-4-propan-2-yl-1H-pyrimidin-2-one?
The InChIKey is XGKZPVWKOJVSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-9(2)12-10(3)13(16-14(17)15-12)11-7-5-4-6-8-11/h9,11H,4-8H2,1-3H3,(H,15,16,17).
What are the key properties of 6-cyclohexyl-5-methyl-4-propan-2-yl-1H-pyrimidin-2-one?
6-cyclohexyl-5-methyl-4-propan-2-yl-1H-pyrimidin-2-one has a molecular weight of 234.34 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-5-methyl-4-propan-2-yl-1H-pyrimidin-2-one is sourced from PubChem (CID 25027289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).