2-(cyclopropylmethylamino)-4-ethylpyrimidine-5-carboxylic acid

C11H15N3O2 — CID 71794364

IUPAC2-(cyclopropylmethylamino)-4-ethylpyrimidine-5-carboxylic acid
SMILESCCc1nc(NCC2CC2)ncc1C(=O)O
InChIInChI=1S/C11H15N3O2/c1-2-9-8(10(15)16)6-13-11(14-9)12-5-7-3-4-7/h6-7H,2-5H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyAUFDRACSMIDZMC-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.56
Rot. Bonds5

About 2-(cyclopropylmethylamino)-4-ethylpyrimidine-5-carboxylic acid

2-(cyclopropylmethylamino)-4-ethylpyrimidine-5-carboxylic acid (PubChem CID 71794364) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-4-ethylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-4-ethylpyrimidine-5-carboxylic acid
PubChem CID71794364
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-(cyclopropylmethylamino)-4-ethylpyrimidine-5-carboxylic acid
SMILESCCc1nc(NCC2CC2)ncc1C(=O)O
InChIInChI=1S/C11H15N3O2/c1-2-9-8(10(15)16)6-13-11(14-9)12-5-7-3-4-7/h6-7H,2-5H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyAUFDRACSMIDZMC-UHFFFAOYSA-N
XLogP1.56
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(cyclopropylmethylamino)-4-ethylpyrimidine-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

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-4-ethylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-(cyclopropylmethylamino)-4-ethylpyrimidine-5-carboxylic acid (CID 71794364) is 2-(cyclopropylmethylamino)-4-ethylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(cyclopropylmethylamino)-4-ethylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(cyclopropylmethylamino)-4-ethylpyrimidine-5-carboxylic acid is CCc1nc(NCC2CC2)ncc1C(=O)O.
What is the InChIKey of 2-(cyclopropylmethylamino)-4-ethylpyrimidine-5-carboxylic acid?
The InChIKey is AUFDRACSMIDZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-2-9-8(10(15)16)6-13-11(14-9)12-5-7-3-4-7/h6-7H,2-5H2,1H3,(H,15,16)(H,12,13,14).
What are the key properties of 2-(cyclopropylmethylamino)-4-ethylpyrimidine-5-carboxylic acid?
2-(cyclopropylmethylamino)-4-ethylpyrimidine-5-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-4-ethylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 71794364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).