4-methyl-2-(3-methylpyrrolidin-1-yl)pyrimidine-5-carboxylic acid

C11H15N3O2 — CID 83181005

IUPAC4-methyl-2-(3-methylpyrrolidin-1-yl)pyrimidine-5-carboxylic acid
SMILESCc1nc(N2CCC(C)C2)ncc1C(=O)O
InChIInChI=1S/C11H15N3O2/c1-7-3-4-14(6-7)11-12-5-9(10(15)16)8(2)13-11/h5,7H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyBISUWPSGTWILEN-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.33
Rot. Bonds2

About 4-methyl-2-(3-methylpyrrolidin-1-yl)pyrimidine-5-carboxylic acid

4-methyl-2-(3-methylpyrrolidin-1-yl)pyrimidine-5-carboxylic acid (PubChem CID 83181005) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-methyl-2-(3-methylpyrrolidin-1-yl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(3-methylpyrrolidin-1-yl)pyrimidine-5-carboxylic acid
PubChem CID83181005
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name4-methyl-2-(3-methylpyrrolidin-1-yl)pyrimidine-5-carboxylic acid
SMILESCc1nc(N2CCC(C)C2)ncc1C(=O)O
InChIInChI=1S/C11H15N3O2/c1-7-3-4-14(6-7)11-12-5-9(10(15)16)8(2)13-11/h5,7H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyBISUWPSGTWILEN-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-(3-methylpyrrolidin-1-yl)pyrimidine-5-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

4-methyl-2-(4-methylazepan-1-yl)pyrimidine-5-carboxylic acid
CID 83181691
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4-methylpyrimidine-5-carboxylic acid
CID 83181663
4-methyl-2-(3-phenylpyrrolidin-1-yl)pyrimidine-5-carboxylic acid
CID 83178302
2-(2,4-dimethylpiperidin-1-yl)-4-methylpyrimidine-5-carboxylic acid
CID 83181833
4-methyl-2-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 16653120
2-(3,4-dimethoxypyrrolidin-1-yl)-4-methylpyrimidine-5-carboxylic acid
CID 103534362
4-methyl-2-(4-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide
CID 66505240
N-[[4-methyl-2-(3-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 83185436
N-(4-hydroxyphenyl)-4-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 66504118
4-methyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidine-5-carboxylic acid
CID 83180576
N-(3,5-dichlorophenyl)-4-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 66504114
N-(4-chlorophenyl)-4-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 66504083

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-methylpyrrolidin-1-yl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-methyl-2-(3-methylpyrrolidin-1-yl)pyrimidine-5-carboxylic acid (CID 83181005) is 4-methyl-2-(3-methylpyrrolidin-1-yl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(3-methylpyrrolidin-1-yl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-(3-methylpyrrolidin-1-yl)pyrimidine-5-carboxylic acid is Cc1nc(N2CCC(C)C2)ncc1C(=O)O.
What is the InChIKey of 4-methyl-2-(3-methylpyrrolidin-1-yl)pyrimidine-5-carboxylic acid?
The InChIKey is BISUWPSGTWILEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7-3-4-14(6-7)11-12-5-9(10(15)16)8(2)13-11/h5,7H,3-4,6H2,1-2H3,(H,15,16).
What are the key properties of 4-methyl-2-(3-methylpyrrolidin-1-yl)pyrimidine-5-carboxylic acid?
4-methyl-2-(3-methylpyrrolidin-1-yl)pyrimidine-5-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methylpyrrolidin-1-yl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 83181005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).