4-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]cyclohexan-1-one

C15H22N2O — CID 116895673

IUPAC4-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]cyclohexan-1-one
SMILESCc1cc(CC(C)C)nc(C2CCC(=O)CC2)n1
InChIInChI=1S/C15H22N2O/c1-10(2)8-13-9-11(3)16-15(17-13)12-4-6-14(18)7-5-12/h9-10,12H,4-8H2,1-3H3
InChIKeyPWTOYMNPRZOGHA-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.21
Rot. Bonds3

About 4-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]cyclohexan-1-one

4-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]cyclohexan-1-one (PubChem CID 116895673) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]cyclohexan-1-one
PubChem CID116895673
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name4-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]cyclohexan-1-one
SMILESCc1cc(CC(C)C)nc(C2CCC(=O)CC2)n1
InChIInChI=1S/C15H22N2O/c1-10(2)8-13-9-11(3)16-15(17-13)12-4-6-14(18)7-5-12/h9-10,12H,4-8H2,1-3H3
InChIKeyPWTOYMNPRZOGHA-UHFFFAOYSA-N
XLogP3.21
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]cyclobutan-1-amine
CID 116893625
4-methyl-6-(2-methylpropyl)-2-piperidin-2-ylpyrimidine
CID 116893407
2-cyclopropyl-6-(2-methylpropyl)pyrimidine-4-carbonitrile
CID 121206817
4-(chloromethyl)-6-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidine
CID 65400374
4-chloro-2-cyclooctyl-6-(2-methylpropyl)pyrimidine
CID 80603227
N-[[6-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 65400572
4-methyl-6-(2-methylpropyl)-2-(piperidin-4-ylmethyl)pyrimidine
CID 116893542
1-[2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]propan-2-amine
CID 65414649
[2-(4-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methanamine
CID 65390143
4-(4-ethylpyrimidin-2-yl)cyclohexan-1-one
CID 116901988
2-cyclobutyl-4,6-dimethylpyrimidine
CID 122534003
2-(chloromethyl)-4-methyl-6-(2-methylpropyl)pyrimidine
CID 116893669

Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]cyclohexan-1-one?
The IUPAC name of 4-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]cyclohexan-1-one (CID 116895673) is 4-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]cyclohexan-1-one.
What is the SMILES notation for 4-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]cyclohexan-1-one?
The canonical SMILES for 4-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]cyclohexan-1-one is Cc1cc(CC(C)C)nc(C2CCC(=O)CC2)n1.
What is the InChIKey of 4-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]cyclohexan-1-one?
The InChIKey is PWTOYMNPRZOGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10(2)8-13-9-11(3)16-15(17-13)12-4-6-14(18)7-5-12/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 4-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]cyclohexan-1-one?
4-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]cyclohexan-1-one has a molecular weight of 246.35 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]cyclohexan-1-one is sourced from PubChem (CID 116895673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).