2-[(4-ethoxypyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid

C13H19N3O3 — CID 112636132

IUPAC2-[(4-ethoxypyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid
SMILESCCOc1ccnc(NC2CCCCC2C(=O)O)n1
InChIInChI=1S/C13H19N3O3/c1-2-19-11-7-8-14-13(16-11)15-10-6-4-3-5-9(10)12(17)18/h7-10H,2-6H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyVNZKXYDFISEQOI-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.93
Rot. Bonds5

About 2-[(4-ethoxypyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid

2-[(4-ethoxypyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid (PubChem CID 112636132) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[(4-ethoxypyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-ethoxypyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid
PubChem CID112636132
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[(4-ethoxypyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid
SMILESCCOc1ccnc(NC2CCCCC2C(=O)O)n1
InChIInChI=1S/C13H19N3O3/c1-2-19-11-7-8-14-13(16-11)15-10-6-4-3-5-9(10)12(17)18/h7-10H,2-6H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyVNZKXYDFISEQOI-UHFFFAOYSA-N
XLogP1.93
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(4-ethoxypyrimidin-2-yl)amino]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

Related Compounds

3-[(4-ethoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
CID 112636158
N-cycloheptyl-4-ethoxypyrimidin-2-amine
CID 112636626
4-ethoxy-N-(2-methoxycyclopentyl)pyrimidin-2-amine
CID 112637423
trans-(1S,2S)-2-N-(4-ethoxypyrimidin-2-yl)-1-N,1-N-dimethylcyclopentane-1,2-diamine
CID 146105827
N-cyclopropyl-4-ethoxypyrimidin-2-amine
CID 94830398
cis-(1R,2S)-2-(pyrimidin-2-ylamino)cyclopentane-1-carboxylic acid
CID 164653891
N-(4-chlorocyclohexyl)-4-ethoxypyrimidin-2-amine
CID 112639257
2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
CID 115973093
N-(2-ethylcyclohexyl)-4-methoxypyrimidin-2-amine
CID 112684653
2-[(4-ethoxypyrimidin-2-yl)amino]acetic acid
CID 112635975
tert-butyl 2-[(4-phenoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylate
CID 167858499
1-[(4-ethoxypyrimidin-2-yl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 115974051

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxypyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(4-ethoxypyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid (CID 112636132) is 2-[(4-ethoxypyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-ethoxypyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(4-ethoxypyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid is CCOc1ccnc(NC2CCCCC2C(=O)O)n1.
What is the InChIKey of 2-[(4-ethoxypyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is VNZKXYDFISEQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-2-19-11-7-8-14-13(16-11)15-10-6-4-3-5-9(10)12(17)18/h7-10H,2-6H2,1H3,(H,17,18)(H,14,15,16).
What are the key properties of 2-[(4-ethoxypyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid?
2-[(4-ethoxypyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxypyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 112636132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).