(2R)-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid

C13H15N5O2 — CID 67223655

IUPAC(2R)-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESCc1cc(N2CCC[C@@H]2C(=O)O)nc(-n2ccnc2)n1
InChIInChI=1S/C13H15N5O2/c1-9-7-11(18-5-2-3-10(18)12(19)20)16-13(15-9)17-6-4-14-8-17/h4,6-8,10H,2-3,5H2,1H3,(H,19,20)/t10-/m1/s1
InChIKeyMZOQFGOLUIBKBP-SNVBAGLBSA-N
MW273.30 g/mol
LogP1.02
Rot. Bonds3

About (2R)-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid

(2R)-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid (PubChem CID 67223655) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is (2R)-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
PubChem CID67223655
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name(2R)-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESCc1cc(N2CCC[C@@H]2C(=O)O)nc(-n2ccnc2)n1
InChIInChI=1S/C13H15N5O2/c1-9-7-11(18-5-2-3-10(18)12(19)20)16-13(15-9)17-6-4-14-8-17/h4,6-8,10H,2-3,5H2,1H3,(H,19,20)/t10-/m1/s1
InChIKeyMZOQFGOLUIBKBP-SNVBAGLBSA-N
XLogP1.02
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-2-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 (2R)-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid (CID 67223655) is (2R)-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid is Cc1cc(N2CCC[C@@H]2C(=O)O)nc(-n2ccnc2)n1.
What is the InChIKey of (2R)-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is MZOQFGOLUIBKBP-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-9-7-11(18-5-2-3-10(18)12(19)20)16-13(15-9)17-6-4-14-8-17/h4,6-8,10H,2-3,5H2,1H3,(H,19,20)/t10-/m1/s1.
What are the key properties of (2R)-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
(2R)-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 273.30 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 67223655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).