5-[(3-methylcyclopentyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid

C14H21N3O2 — CID 114546945

IUPAC5-[(3-methylcyclopentyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC1CCC(Nc2cnc(C(C)C)nc2C(=O)O)C1
InChIInChI=1S/C14H21N3O2/c1-8(2)13-15-7-11(12(17-13)14(18)19)16-10-5-4-9(3)6-10/h7-10,16H,4-6H2,1-3H3,(H,18,19)
InChIKeyJNFNKEPACZLAHW-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.90
Rot. Bonds4

About 5-[(3-methylcyclopentyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid

5-[(3-methylcyclopentyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid (PubChem CID 114546945) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-[(3-methylcyclopentyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-[(3-methylcyclopentyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
PubChem CID114546945
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name5-[(3-methylcyclopentyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC1CCC(Nc2cnc(C(C)C)nc2C(=O)O)C1
InChIInChI=1S/C14H21N3O2/c1-8(2)13-15-7-11(12(17-13)14(18)19)16-10-5-4-9(3)6-10/h7-10,16H,4-6H2,1-3H3,(H,18,19)
InChIKeyJNFNKEPACZLAHW-UHFFFAOYSA-N
XLogP2.90
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(3-methylcyclopentyl)amino]-2-propan-2-ylpyrimidine-4-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

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylcyclopentyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 5-[(3-methylcyclopentyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid (CID 114546945) is 5-[(3-methylcyclopentyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-[(3-methylcyclopentyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 5-[(3-methylcyclopentyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid is CC1CCC(Nc2cnc(C(C)C)nc2C(=O)O)C1.
What is the InChIKey of 5-[(3-methylcyclopentyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is JNFNKEPACZLAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-8(2)13-15-7-11(12(17-13)14(18)19)16-10-5-4-9(3)6-10/h7-10,16H,4-6H2,1-3H3,(H,18,19).
What are the key properties of 5-[(3-methylcyclopentyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid?
5-[(3-methylcyclopentyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylcyclopentyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 114546945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).