4-[(2-methylpyrimidin-5-yl)carbamoylamino]cyclohexane-1-carboxylic acid

C13H18N4O3 — CID 122079348

IUPAC4-[(2-methylpyrimidin-5-yl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCc1ncc(NC(=O)NC2CCC(C(=O)O)CC2)cn1
InChIInChI=1S/C13H18N4O3/c1-8-14-6-11(7-15-8)17-13(20)16-10-4-2-9(3-5-10)12(18)19/h6-7,9-10H,2-5H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyGFSLHPXGFXXWDF-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.55
Rot. Bonds3

About 4-[(2-methylpyrimidin-5-yl)carbamoylamino]cyclohexane-1-carboxylic acid

4-[(2-methylpyrimidin-5-yl)carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 122079348) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-[(2-methylpyrimidin-5-yl)carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methylpyrimidin-5-yl)carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID122079348
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name4-[(2-methylpyrimidin-5-yl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCc1ncc(NC(=O)NC2CCC(C(=O)O)CC2)cn1
InChIInChI=1S/C13H18N4O3/c1-8-14-6-11(7-15-8)17-13(20)16-10-4-2-9(3-5-10)12(18)19/h6-7,9-10H,2-5H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyGFSLHPXGFXXWDF-UHFFFAOYSA-N
XLogP1.55
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[(2-methylpyrimidin-5-yl)carbamoylamino]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

4-[[6-(4-methylphenoxy)-3-pyridinyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122076375
4-[(2-methyl-4-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122088413
1-cyclopropyl-3-(2-cyclopropylpyrimidin-5-yl)urea
CID 71933502
4-[(3,5-dimethoxy-4-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122094174
4-(thiophen-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 66355665
4-[(3-carbamoyl-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122094809
4-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61190108
4-[(5-chloro-4-methyl-3-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122094449
1-cyclopropyl-3-pyrimidin-5-ylurea
CID 104859363
4-[(5-methoxy-1,3-thiazol-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122092807
4-[(4-ethoxycarbonylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122076103
4-[(4-carbamoyl-3-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122079465

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpyrimidin-5-yl)carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2-methylpyrimidin-5-yl)carbamoylamino]cyclohexane-1-carboxylic acid (CID 122079348) is 4-[(2-methylpyrimidin-5-yl)carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2-methylpyrimidin-5-yl)carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2-methylpyrimidin-5-yl)carbamoylamino]cyclohexane-1-carboxylic acid is Cc1ncc(NC(=O)NC2CCC(C(=O)O)CC2)cn1.
What is the InChIKey of 4-[(2-methylpyrimidin-5-yl)carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is GFSLHPXGFXXWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-8-14-6-11(7-15-8)17-13(20)16-10-4-2-9(3-5-10)12(18)19/h6-7,9-10H,2-5H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 4-[(2-methylpyrimidin-5-yl)carbamoylamino]cyclohexane-1-carboxylic acid?
4-[(2-methylpyrimidin-5-yl)carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 1.55, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpyrimidin-5-yl)carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122079348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).