6-cyclopropylpyrimidine-4-carboxylic acid

C8H8N2O2 — CID 82414980

IUPAC6-cyclopropylpyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)ncn1
InChIInChI=1S/C8H8N2O2/c11-8(12)7-3-6(5-1-2-5)9-4-10-7/h3-5H,1-2H2,(H,11,12)
InChIKeyDDJDNPIUASSAOM-UHFFFAOYSA-N
MW164.16 g/mol
LogP1.05
Rot. Bonds2

About 6-cyclopropylpyrimidine-4-carboxylic acid

6-cyclopropylpyrimidine-4-carboxylic acid (PubChem CID 82414980) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 6-cyclopropylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-cyclopropylpyrimidine-4-carboxylic acid
PubChem CID82414980
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name6-cyclopropylpyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)ncn1
InChIInChI=1S/C8H8N2O2/c11-8(12)7-3-6(5-1-2-5)9-4-10-7/h3-5H,1-2H2,(H,11,12)
InChIKeyDDJDNPIUASSAOM-UHFFFAOYSA-N
XLogP1.05
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-cyclopropylpyrimidine-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 6-cyclopropylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-cyclopropylpyrimidine-4-carboxylic acid (CID 82414980) is 6-cyclopropylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-cyclopropylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-cyclopropylpyrimidine-4-carboxylic acid is O=C(O)c1cc(C2CC2)ncn1.
What is the InChIKey of 6-cyclopropylpyrimidine-4-carboxylic acid?
The InChIKey is DDJDNPIUASSAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c11-8(12)7-3-6(5-1-2-5)9-4-10-7/h3-5H,1-2H2,(H,11,12).
What are the key properties of 6-cyclopropylpyrimidine-4-carboxylic acid?
6-cyclopropylpyrimidine-4-carboxylic acid has a molecular weight of 164.16 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 82414980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).