4-cyclopropyl-6-methylpyrimidine-5-carboxylic acid

C9H10N2O2 — CID 82372474

IUPAC4-cyclopropyl-6-methylpyrimidine-5-carboxylic acid
SMILESCc1ncnc(C2CC2)c1C(=O)O
InChIInChI=1S/C9H10N2O2/c1-5-7(9(12)13)8(6-2-3-6)11-4-10-5/h4,6H,2-3H2,1H3,(H,12,13)
InChIKeyGILBHJBGLJAYAU-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.36
Rot. Bonds2

About 4-cyclopropyl-6-methylpyrimidine-5-carboxylic acid

4-cyclopropyl-6-methylpyrimidine-5-carboxylic acid (PubChem CID 82372474) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 4-cyclopropyl-6-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-6-methylpyrimidine-5-carboxylic acid
PubChem CID82372474
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name4-cyclopropyl-6-methylpyrimidine-5-carboxylic acid
SMILESCc1ncnc(C2CC2)c1C(=O)O
InChIInChI=1S/C9H10N2O2/c1-5-7(9(12)13)8(6-2-3-6)11-4-10-5/h4,6H,2-3H2,1H3,(H,12,13)
InChIKeyGILBHJBGLJAYAU-UHFFFAOYSA-N
XLogP1.36
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methylpyrimidine-4,5-dicarboxylic acid
CID 90696614
4-ethyl-6-methylpyrimidine-5-carboxylic acid
CID 58781566
[4-(5,6-dimethylpyrimidin-4-yl)cyclohexyl]methanamine
CID 83858562
4-cyclopropyl-6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
CID 101043835
6-cyclopropyl-5-methylpyridine-2-carboxylic acid
CID 118990646
5-chloro-3-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylic acid
CID 63353500
sodium;4,6-dimethylpyrimidine-5-carboxylate;ethane
CID 144874588
4-methyl-6-pyridin-2-ylpyrimidine-5-carboxylic acid
CID 82471218
4-(3,4-dimethylphenyl)-6-methylpyrimidine-5-carboxylic acid
CID 82293374
3-[(2R)-1-(4,6-dimethylpyrimidine-5-carbonyl)piperidin-2-yl]propanoic acid
CID 126450775
4-chloro-2-methylpyridine-3-carboxylic acid;hydrochloride
CID 155943900
4-chloro-6-cyclopentyl-2-methylpyridine-3-carboxylic acid
CID 175549709

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-cyclopropyl-6-methylpyrimidine-5-carboxylic acid (CID 82372474) is 4-cyclopropyl-6-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-6-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-6-methylpyrimidine-5-carboxylic acid is Cc1ncnc(C2CC2)c1C(=O)O.
What is the InChIKey of 4-cyclopropyl-6-methylpyrimidine-5-carboxylic acid?
The InChIKey is GILBHJBGLJAYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-5-7(9(12)13)8(6-2-3-6)11-4-10-5/h4,6H,2-3H2,1H3,(H,12,13).
What are the key properties of 4-cyclopropyl-6-methylpyrimidine-5-carboxylic acid?
4-cyclopropyl-6-methylpyrimidine-5-carboxylic acid has a molecular weight of 178.19 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 82372474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).