4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidine-5-carboxylic acid

C16H22N2O3 — CID 116775134

IUPAC4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidine-5-carboxylic acid
SMILESCOC1(c2ncc(C(=O)O)c(C3CC3)n2)CCC(C)CC1
InChIInChI=1S/C16H22N2O3/c1-10-5-7-16(21-2,8-6-10)15-17-9-12(14(19)20)13(18-15)11-3-4-11/h9-11H,3-8H2,1-2H3,(H,19,20)
InChIKeyKSKKBKYNAPFXHR-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.10
Rot. Bonds4

About 4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidine-5-carboxylic acid

4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidine-5-carboxylic acid (PubChem CID 116775134) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidine-5-carboxylic acid
PubChem CID116775134
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidine-5-carboxylic acid
SMILESCOC1(c2ncc(C(=O)O)c(C3CC3)n2)CCC(C)CC1
InChIInChI=1S/C16H22N2O3/c1-10-5-7-16(21-2,8-6-10)15-17-9-12(14(19)20)13(18-15)11-3-4-11/h9-11H,3-8H2,1-2H3,(H,19,20)
InChIKeyKSKKBKYNAPFXHR-UHFFFAOYSA-N
XLogP3.10
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidine-5-carboxylic acid (CID 116775134) is 4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidine-5-carboxylic acid is COC1(c2ncc(C(=O)O)c(C3CC3)n2)CCC(C)CC1.
What is the InChIKey of 4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidine-5-carboxylic acid?
The InChIKey is KSKKBKYNAPFXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-10-5-7-16(21-2,8-6-10)15-17-9-12(14(19)20)13(18-15)11-3-4-11/h9-11H,3-8H2,1-2H3,(H,19,20).
What are the key properties of 4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidine-5-carboxylic acid?
4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidine-5-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 116775134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).