4-[[(2,3-dimethylcyclopentyl)amino]methyl]pyrimidine-5-carboxylic acid

C13H19N3O2 — CID 103254754

IUPAC4-[[(2,3-dimethylcyclopentyl)amino]methyl]pyrimidine-5-carboxylic acid
SMILESCC1CCC(NCc2ncncc2C(=O)O)C1C
InChIInChI=1S/C13H19N3O2/c1-8-3-4-11(9(8)2)15-6-12-10(13(17)18)5-14-7-16-12/h5,7-9,11,15H,3-4,6H2,1-2H3,(H,17,18)
InChIKeyQAHFUSCGZARLCH-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.70
Rot. Bonds4

About 4-[[(2,3-dimethylcyclopentyl)amino]methyl]pyrimidine-5-carboxylic acid

4-[[(2,3-dimethylcyclopentyl)amino]methyl]pyrimidine-5-carboxylic acid (PubChem CID 103254754) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-[[(2,3-dimethylcyclopentyl)amino]methyl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-[[(2,3-dimethylcyclopentyl)amino]methyl]pyrimidine-5-carboxylic acid
PubChem CID103254754
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-[[(2,3-dimethylcyclopentyl)amino]methyl]pyrimidine-5-carboxylic acid
SMILESCC1CCC(NCc2ncncc2C(=O)O)C1C
InChIInChI=1S/C13H19N3O2/c1-8-3-4-11(9(8)2)15-6-12-10(13(17)18)5-14-7-16-12/h5,7-9,11,15H,3-4,6H2,1-2H3,(H,17,18)
InChIKeyQAHFUSCGZARLCH-UHFFFAOYSA-N
XLogP1.70
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2,3-dimethylcyclopentyl)amino]methyl]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-[[(2,3-dimethylcyclopentyl)amino]methyl]pyrimidine-5-carboxylic acid (CID 103254754) is 4-[[(2,3-dimethylcyclopentyl)amino]methyl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-[[(2,3-dimethylcyclopentyl)amino]methyl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-[[(2,3-dimethylcyclopentyl)amino]methyl]pyrimidine-5-carboxylic acid is CC1CCC(NCc2ncncc2C(=O)O)C1C.
What is the InChIKey of 4-[[(2,3-dimethylcyclopentyl)amino]methyl]pyrimidine-5-carboxylic acid?
The InChIKey is QAHFUSCGZARLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8-3-4-11(9(8)2)15-6-12-10(13(17)18)5-14-7-16-12/h5,7-9,11,15H,3-4,6H2,1-2H3,(H,17,18).
What are the key properties of 4-[[(2,3-dimethylcyclopentyl)amino]methyl]pyrimidine-5-carboxylic acid?
4-[[(2,3-dimethylcyclopentyl)amino]methyl]pyrimidine-5-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,3-dimethylcyclopentyl)amino]methyl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 103254754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).