4-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidine-5-carboxylic acid

C11H15N3O2 — CID 165448957

IUPAC4-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidine-5-carboxylic acid
SMILESCc1nc(C2CCCN2C)ncc1C(=O)O
InChIInChI=1S/C11H15N3O2/c1-7-8(11(15)16)6-12-10(13-7)9-4-3-5-14(9)2/h6,9H,3-5H2,1-2H3,(H,15,16)
InChIKeyWERXUQZKOQAXEL-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.25
Rot. Bonds2

About 4-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidine-5-carboxylic acid

4-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidine-5-carboxylic acid (PubChem CID 165448957) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidine-5-carboxylic acid
PubChem CID165448957
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name4-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidine-5-carboxylic acid
SMILESCc1nc(C2CCCN2C)ncc1C(=O)O
InChIInChI=1S/C11H15N3O2/c1-7-8(11(15)16)6-12-10(13-7)9-4-3-5-14(9)2/h6,9H,3-5H2,1-2H3,(H,15,16)
InChIKeyWERXUQZKOQAXEL-UHFFFAOYSA-N
XLogP1.25
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-1-cyclopentylpyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 95805931
2-[1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110084529
4-methyl-2-(oxan-2-yl)pyrimidine-5-carboxylic acid
CID 165448964
2-[(2R)-1-acetylpiperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 95830196
4-(1-methylpyrrolidin-2-yl)pyridine-3-carboxylic acid
CID 115024586
2-[1-(cyclopentanecarbonyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
CID 110247820
[2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 110248963
4-methyl-2-(4-methylazepan-1-yl)pyrimidine-5-carboxylic acid
CID 83181691
2-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117136518
2-(1-benzoylpyrrolidin-2-yl)-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide
CID 110247451
2-[1-(4-fluorobenzoyl)pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110248981
2-[(2S)-1-benzylpiperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637314

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidine-5-carboxylic acid (CID 165448957) is 4-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidine-5-carboxylic acid is Cc1nc(C2CCCN2C)ncc1C(=O)O.
What is the InChIKey of 4-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidine-5-carboxylic acid?
The InChIKey is WERXUQZKOQAXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7-8(11(15)16)6-12-10(13-7)9-4-3-5-14(9)2/h6,9H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 4-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidine-5-carboxylic acid?
4-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidine-5-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 165448957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).