2-[(2-methylpyrimidin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid

C14H19N3O3 — CID 61015752

IUPAC2-[(2-methylpyrimidin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1nccc(CNC(=O)C2CCCCC2C(=O)O)n1
InChIInChI=1S/C14H19N3O3/c1-9-15-7-6-10(17-9)8-16-13(18)11-4-2-3-5-12(11)14(19)20/h6-7,11-12H,2-5,8H2,1H3,(H,16,18)(H,19,20)
InChIKeyWFVAGPWVDYXRLZ-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.29
Rot. Bonds4

About 2-[(2-methylpyrimidin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid

2-[(2-methylpyrimidin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 61015752) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[(2-methylpyrimidin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methylpyrimidin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID61015752
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[(2-methylpyrimidin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1nccc(CNC(=O)C2CCCCC2C(=O)O)n1
InChIInChI=1S/C14H19N3O3/c1-9-15-7-6-10(17-9)8-16-13(18)11-4-2-3-5-12(11)14(19)20/h6-7,11-12H,2-5,8H2,1H3,(H,16,18)(H,19,20)
InChIKeyWFVAGPWVDYXRLZ-UHFFFAOYSA-N
XLogP1.29
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2-methylpyrimidin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpyrimidin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(2-methylpyrimidin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid (CID 61015752) is 2-[(2-methylpyrimidin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-methylpyrimidin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(2-methylpyrimidin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid is Cc1nccc(CNC(=O)C2CCCCC2C(=O)O)n1.
What is the InChIKey of 2-[(2-methylpyrimidin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is WFVAGPWVDYXRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9-15-7-6-10(17-9)8-16-13(18)11-4-2-3-5-12(11)14(19)20/h6-7,11-12H,2-5,8H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 2-[(2-methylpyrimidin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
2-[(2-methylpyrimidin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpyrimidin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61015752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).