6-butan-2-yl-2-cyclopropylpyrimidine-4-carboxylic acid

C12H16N2O2 — CID 121206911

IUPAC6-butan-2-yl-2-cyclopropylpyrimidine-4-carboxylic acid
SMILESCCC(C)c1cc(C(=O)O)nc(C2CC2)n1
InChIInChI=1S/C12H16N2O2/c1-3-7(2)9-6-10(12(15)16)14-11(13-9)8-4-5-8/h6-8H,3-5H2,1-2H3,(H,15,16)
InChIKeyOBFHTKMUYDMNDM-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.57
Rot. Bonds4

About 6-butan-2-yl-2-cyclopropylpyrimidine-4-carboxylic acid

6-butan-2-yl-2-cyclopropylpyrimidine-4-carboxylic acid (PubChem CID 121206911) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 6-butan-2-yl-2-cyclopropylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-butan-2-yl-2-cyclopropylpyrimidine-4-carboxylic acid
PubChem CID121206911
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name6-butan-2-yl-2-cyclopropylpyrimidine-4-carboxylic acid
SMILESCCC(C)c1cc(C(=O)O)nc(C2CC2)n1
InChIInChI=1S/C12H16N2O2/c1-3-7(2)9-6-10(12(15)16)14-11(13-9)8-4-5-8/h6-8H,3-5H2,1-2H3,(H,15,16)
InChIKeyOBFHTKMUYDMNDM-UHFFFAOYSA-N
XLogP2.57
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-butan-2-yl-2-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-butan-2-yl-2-cyclopropylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-butan-2-yl-2-cyclopropylpyrimidine-4-carboxylic acid (CID 121206911) is 6-butan-2-yl-2-cyclopropylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-butan-2-yl-2-cyclopropylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-butan-2-yl-2-cyclopropylpyrimidine-4-carboxylic acid is CCC(C)c1cc(C(=O)O)nc(C2CC2)n1.
What is the InChIKey of 6-butan-2-yl-2-cyclopropylpyrimidine-4-carboxylic acid?
The InChIKey is OBFHTKMUYDMNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-3-7(2)9-6-10(12(15)16)14-11(13-9)8-4-5-8/h6-8H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 6-butan-2-yl-2-cyclopropylpyrimidine-4-carboxylic acid?
6-butan-2-yl-2-cyclopropylpyrimidine-4-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-2-cyclopropylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 121206911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).