cis-(1S,2R)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid

C12H17N3O3 — CID 138032937

IUPACcis-(1S,2R)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
SMILESCOc1cc(C)nc(N[C@@H]2CCC[C@@H]2C(=O)O)n1
InChIInChI=1S/C12H17N3O3/c1-7-6-10(18-2)15-12(13-7)14-9-5-3-4-8(9)11(16)17/h6,8-9H,3-5H2,1-2H3,(H,16,17)(H,13,14,15)/t8-,9+/m0/s1
InChIKeyUCNILUMTKILOTM-DTWKUNHWSA-N
MW251.29 g/mol
LogP1.46
Rot. Bonds4

About cis-(1S,2R)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid

cis-(1S,2R)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid (PubChem CID 138032937) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
PubChem CID138032937
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Namecis-(1S,2R)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
SMILESCOc1cc(C)nc(N[C@@H]2CCC[C@@H]2C(=O)O)n1
InChIInChI=1S/C12H17N3O3/c1-7-6-10(18-2)15-12(13-7)14-9-5-3-4-8(9)11(16)17/h6,8-9H,3-5H2,1-2H3,(H,16,17)(H,13,14,15)/t8-,9+/m0/s1
InChIKeyUCNILUMTKILOTM-DTWKUNHWSA-N
XLogP1.46
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze cis-(1S,2R)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclopentane-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

2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 107602103
2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
CID 115973093
2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 115973097
2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 107605555
4-methoxy-N-(2-methoxycyclopentyl)-6-methylpyrimidin-2-amine
CID 112699094
4-methoxy-6-methyl-N-(2-methylcycloheptyl)pyrimidin-2-amine
CID 112638041
[2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclopentyl]methanol
CID 113243952
cis-(1S,2R)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclopentane-1-carboxylic acid
CID 138020678
2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)cyclopentane-1-carboxamide
CID 107600178
2-[(4,6-dimethylpyrimidin-2-yl)amino]cycloheptane-1-carboxamide
CID 84592830
4-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 107602545
4-methoxy-6-methyl-N-(3-methylcyclobutyl)pyrimidin-2-amine
CID 115671869

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid (CID 138032937) is cis-(1S,2R)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid is COc1cc(C)nc(N[C@@H]2CCC[C@@H]2C(=O)O)n1.
What is the InChIKey of cis-(1S,2R)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is UCNILUMTKILOTM-DTWKUNHWSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-7-6-10(18-2)15-12(13-7)14-9-5-3-4-8(9)11(16)17/h6,8-9H,3-5H2,1-2H3,(H,16,17)(H,13,14,15)/t8-,9+/m0/s1.
What are the key properties of cis-(1S,2R)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid?
cis-(1S,2R)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 138032937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).