2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-3-(methylcarbamoyl)pyrrolidine-1-carboxylic acid

C15H18N6O3 — CID 68690148

IUPAC2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-3-(methylcarbamoyl)pyrrolidine-1-carboxylic acid
SMILESCNC(=O)C1CCN(C(=O)O)C1c1cc(C)nc(-n2ccnc2)n1
InChIInChI=1S/C15H18N6O3/c1-9-7-11(19-14(18-9)20-6-4-17-8-20)12-10(13(22)16-2)3-5-21(12)15(23)24/h4,6-8,10,12H,3,5H2,1-2H3,(H,16,22)(H,23,24)
InChIKeyQBVAZFRNGSGIRX-UHFFFAOYSA-N
MW330.35 g/mol
LogP0.76
Rot. Bonds3

About 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-3-(methylcarbamoyl)pyrrolidine-1-carboxylic acid

2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-3-(methylcarbamoyl)pyrrolidine-1-carboxylic acid (PubChem CID 68690148) has the molecular formula C15H18N6O3 and a molecular weight of 330.35 g/mol. Its IUPAC name is 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-3-(methylcarbamoyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-3-(methylcarbamoyl)pyrrolidine-1-carboxylic acid
PubChem CID68690148
Molecular FormulaC15H18N6O3
Molecular Weight330.35 g/mol
Exact Mass330.14
IUPAC Name2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-3-(methylcarbamoyl)pyrrolidine-1-carboxylic acid
SMILESCNC(=O)C1CCN(C(=O)O)C1c1cc(C)nc(-n2ccnc2)n1
InChIInChI=1S/C15H18N6O3/c1-9-7-11(19-14(18-9)20-6-4-17-8-20)12-10(13(22)16-2)3-5-21(12)15(23)24/h4,6-8,10,12H,3,5H2,1-2H3,(H,16,22)(H,23,24)
InChIKeyQBVAZFRNGSGIRX-UHFFFAOYSA-N
XLogP0.76
TPSA113.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-1,3-dicarboxylic acid
CID 69362782
tert-butyl (2S,3S)-3-carbamothioyl-2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-1-carboxylate
CID 124584411
ethyl 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-methylpyrrolidine-3-carboxylate
CID 58654382
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-methylpyrrolidine-3-carboxamide
CID 58654401
ethyl 2-[(2R,3S)-2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-1,3-thiazole-4-carboxylate
CID 124584984
1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-N-(1-morpholin-4-ylethyl)pyrrolidine-2-carboxamide
CID 22488083
ethyl 2-[(2R,3R)-2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxylate
CID 124583945
N-[(4-chlorophenyl)methyl]-2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)morpholine-3-carboxamide
CID 18459828
2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-N-phenyl-2-piperidin-1-ylpropanamide
CID 174386201
2-[(2R)-2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]-4,6-dimethylpyrimidine
CID 124998210
1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-N-[(4-nitrophenyl)methyl]piperidine-2-carboxamide
CID 22711914
1-[4-(4-imidazol-1-yl-6-methylpyrimidin-2-yl)piperidin-1-yl]ethanone
CID 95820895

Frequently Asked Questions

What is the IUPAC name of 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-3-(methylcarbamoyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-3-(methylcarbamoyl)pyrrolidine-1-carboxylic acid (CID 68690148) is 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-3-(methylcarbamoyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-3-(methylcarbamoyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-3-(methylcarbamoyl)pyrrolidine-1-carboxylic acid is CNC(=O)C1CCN(C(=O)O)C1c1cc(C)nc(-n2ccnc2)n1.
What is the InChIKey of 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-3-(methylcarbamoyl)pyrrolidine-1-carboxylic acid?
The InChIKey is QBVAZFRNGSGIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O3/c1-9-7-11(19-14(18-9)20-6-4-17-8-20)12-10(13(22)16-2)3-5-21(12)15(23)24/h4,6-8,10,12H,3,5H2,1-2H3,(H,16,22)(H,23,24).
What are the key properties of 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-3-(methylcarbamoyl)pyrrolidine-1-carboxylic acid?
2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-3-(methylcarbamoyl)pyrrolidine-1-carboxylic acid has a molecular weight of 330.35 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-3-(methylcarbamoyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 68690148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).