3-methyl-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid

C16H18N4O2 — CID 122052385

IUPAC3-methyl-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESCc1cc(N2CCC(C)(C(=O)O)C2)nc(-c2ccncc2)n1
InChIInChI=1S/C16H18N4O2/c1-11-9-13(20-8-5-16(2,10-20)15(21)22)19-14(18-11)12-3-6-17-7-4-12/h3-4,6-7,9H,5,8,10H2,1-2H3,(H,21,22)
InChIKeyXIAMMKRKJBVYOL-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.15
Rot. Bonds3

About 3-methyl-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid

3-methyl-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid (PubChem CID 122052385) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 3-methyl-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
PubChem CID122052385
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name3-methyl-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESCc1cc(N2CCC(C)(C(=O)O)C2)nc(-c2ccncc2)n1
InChIInChI=1S/C16H18N4O2/c1-11-9-13(20-8-5-16(2,10-20)15(21)22)19-14(18-11)12-3-6-17-7-4-12/h3-4,6-7,9H,5,8,10H2,1-2H3,(H,21,22)
InChIKeyXIAMMKRKJBVYOL-UHFFFAOYSA-N
XLogP2.15
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 56767515
ethyl 3-methyl-1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxylate
CID 133387279
2-fluoro-3-methyl-N-[[2-methyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)morpholin-2-yl]methyl]but-2-enamide
CID 154784273
3-methyl-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 122052448
(3-methylpiperidin-1-yl)-[1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 48931330
(2R)-N-cyclopropyl-2-[4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 52511508
4-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxylic acid
CID 63124110
3-methyl-1-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrrolidine-3-carboxylic acid
CID 122052349
3-methyl-1-(6-methylsulfanylpyrazin-2-yl)pyrrolidine-3-carboxylic acid
CID 122052560
1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 48931738
5-(3-carboxy-3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid
CID 122052353
1-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperidin-4-one
CID 56767299

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid (CID 122052385) is 3-methyl-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid is Cc1cc(N2CCC(C)(C(=O)O)C2)nc(-c2ccncc2)n1.
What is the InChIKey of 3-methyl-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is XIAMMKRKJBVYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-11-9-13(20-8-5-16(2,10-20)15(21)22)19-14(18-11)12-3-6-17-7-4-12/h3-4,6-7,9H,5,8,10H2,1-2H3,(H,21,22).
What are the key properties of 3-methyl-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
3-methyl-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 298.35 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122052385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).