2-(1-methoxy-4,4-dimethylcyclohexyl)-6-methylpyrimidine-4-carboxylic acid

C15H22N2O3 — CID 116778946

IUPAC2-(1-methoxy-4,4-dimethylcyclohexyl)-6-methylpyrimidine-4-carboxylic acid
SMILESCOC1(c2nc(C)cc(C(=O)O)n2)CCC(C)(C)CC1
InChIInChI=1S/C15H22N2O3/c1-10-9-11(12(18)19)17-13(16-10)15(20-4)7-5-14(2,3)6-8-15/h9H,5-8H2,1-4H3,(H,18,19)
InChIKeyZCYAAIXAQZPXOA-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.93
Rot. Bonds3

About 2-(1-methoxy-4,4-dimethylcyclohexyl)-6-methylpyrimidine-4-carboxylic acid

2-(1-methoxy-4,4-dimethylcyclohexyl)-6-methylpyrimidine-4-carboxylic acid (PubChem CID 116778946) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(1-methoxy-4,4-dimethylcyclohexyl)-6-methylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(1-methoxy-4,4-dimethylcyclohexyl)-6-methylpyrimidine-4-carboxylic acid
PubChem CID116778946
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-(1-methoxy-4,4-dimethylcyclohexyl)-6-methylpyrimidine-4-carboxylic acid
SMILESCOC1(c2nc(C)cc(C(=O)O)n2)CCC(C)(C)CC1
InChIInChI=1S/C15H22N2O3/c1-10-9-11(12(18)19)17-13(16-10)15(20-4)7-5-14(2,3)6-8-15/h9H,5-8H2,1-4H3,(H,18,19)
InChIKeyZCYAAIXAQZPXOA-UHFFFAOYSA-N
XLogP2.93
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-(1-phenylcyclopropyl)pyrimidine-4-carboxylic acid
CID 63078321
6-methyl-2-(1-phenylcyclobutyl)pyrimidine-4-carboxylic acid
CID 63078490
2-(1-methoxy-4,4-dimethylcyclohexyl)-4-methyl-1H-pyrimidin-6-one
CID 136963567
4-chloro-2-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-ylpyrimidine
CID 116745744
2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidine-5-carboxylic acid
CID 113432871
4-chloro-2-(1-methoxy-4,4-dimethylcyclohexyl)-6-(methoxymethyl)pyrimidine
CID 116745853
2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-methylpyrimidine-4-carbaldehyde
CID 116778389
2-(1-methoxycycloheptyl)-6-methylpyrimidine-4-carbaldehyde
CID 116778381
6-tert-butyl-2-(1-methoxy-4,4-dimethylcyclohexyl)pyrimidin-4-amine
CID 116775622
2-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-ylpyrimidin-4-amine
CID 116775657
4-chloro-2-(1-methoxy-4,4-dimethylcyclohexyl)pyrimidine
CID 116745761
2-(1-methoxy-4,4-dimethylcyclohexyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 116776150

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxy-4,4-dimethylcyclohexyl)-6-methylpyrimidine-4-carboxylic acid?
The IUPAC name of 2-(1-methoxy-4,4-dimethylcyclohexyl)-6-methylpyrimidine-4-carboxylic acid (CID 116778946) is 2-(1-methoxy-4,4-dimethylcyclohexyl)-6-methylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(1-methoxy-4,4-dimethylcyclohexyl)-6-methylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(1-methoxy-4,4-dimethylcyclohexyl)-6-methylpyrimidine-4-carboxylic acid is COC1(c2nc(C)cc(C(=O)O)n2)CCC(C)(C)CC1.
What is the InChIKey of 2-(1-methoxy-4,4-dimethylcyclohexyl)-6-methylpyrimidine-4-carboxylic acid?
The InChIKey is ZCYAAIXAQZPXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10-9-11(12(18)19)17-13(16-10)15(20-4)7-5-14(2,3)6-8-15/h9H,5-8H2,1-4H3,(H,18,19).
What are the key properties of 2-(1-methoxy-4,4-dimethylcyclohexyl)-6-methylpyrimidine-4-carboxylic acid?
2-(1-methoxy-4,4-dimethylcyclohexyl)-6-methylpyrimidine-4-carboxylic acid has a molecular weight of 278.35 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxy-4,4-dimethylcyclohexyl)-6-methylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 116778946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).