2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid

C15H23N3O3 — CID 115973097

IUPAC2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid
SMILESCc1cc(OC(C)C)nc(NC2CCCCC2C(=O)O)n1
InChIInChI=1S/C15H23N3O3/c1-9(2)21-13-8-10(3)16-15(18-13)17-12-7-5-4-6-11(12)14(19)20/h8-9,11-12H,4-7H2,1-3H3,(H,19,20)(H,16,17,18)
InChIKeyUUEVWJMDVUDXQC-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.63
Rot. Bonds5

About 2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid

2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid (PubChem CID 115973097) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid
PubChem CID115973097
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid
SMILESCc1cc(OC(C)C)nc(NC2CCCCC2C(=O)O)n1
InChIInChI=1S/C15H23N3O3/c1-9(2)21-13-8-10(3)16-15(18-13)17-12-7-5-4-6-11(12)14(19)20/h8-9,11-12H,4-7H2,1-3H3,(H,19,20)(H,16,17,18)
InChIKeyUUEVWJMDVUDXQC-UHFFFAOYSA-N
XLogP2.63
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(4-methyl-6-propan-2-yloxypyrimidin-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

cis-(1S,2R)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
CID 138032937
4-methyl-N-(2-methylcyclohexyl)-6-propan-2-yloxypyrimidin-2-amine
CID 112636524
2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
CID 115973093
N-[2-(aminomethyl)cyclopentyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112635000
2-[(4,6-dimethylpyrimidin-2-yl)amino]cycloheptane-1-carboxamide
CID 84592830
2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 107602103
N-(1,3-dimethylpiperidin-4-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 114504765
2-[[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
CID 115975133
N-cyclopropyl-3-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propanamide
CID 115975222
1-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)cyclobutane-1,3-diamine
CID 112634753
N-(cyclobutylmethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112636641
4-methoxy-6-methyl-N-(2-methylcycloheptyl)pyrimidin-2-amine
CID 112638041

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid (CID 115973097) is 2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid is Cc1cc(OC(C)C)nc(NC2CCCCC2C(=O)O)n1.
What is the InChIKey of 2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is UUEVWJMDVUDXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-9(2)21-13-8-10(3)16-15(18-13)17-12-7-5-4-6-11(12)14(19)20/h8-9,11-12H,4-7H2,1-3H3,(H,19,20)(H,16,17,18).
What are the key properties of 2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid?
2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115973097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).