4-methyl-2-(2-methylimidazol-1-yl)pyrimidine-5-carboxylic acid

C10H10N4O2 — CID 83181046

IUPAC4-methyl-2-(2-methylimidazol-1-yl)pyrimidine-5-carboxylic acid
SMILESCc1nc(-n2ccnc2C)ncc1C(=O)O
InChIInChI=1S/C10H10N4O2/c1-6-8(9(15)16)5-12-10(13-6)14-4-3-11-7(14)2/h3-5H,1-2H3,(H,15,16)
InChIKeySPYNEXVZPSVZFO-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.98
Rot. Bonds2

About 4-methyl-2-(2-methylimidazol-1-yl)pyrimidine-5-carboxylic acid

4-methyl-2-(2-methylimidazol-1-yl)pyrimidine-5-carboxylic acid (PubChem CID 83181046) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 4-methyl-2-(2-methylimidazol-1-yl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(2-methylimidazol-1-yl)pyrimidine-5-carboxylic acid
PubChem CID83181046
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name4-methyl-2-(2-methylimidazol-1-yl)pyrimidine-5-carboxylic acid
SMILESCc1nc(-n2ccnc2C)ncc1C(=O)O
InChIInChI=1S/C10H10N4O2/c1-6-8(9(15)16)5-12-10(13-6)14-4-3-11-7(14)2/h3-5H,1-2H3,(H,15,16)
InChIKeySPYNEXVZPSVZFO-UHFFFAOYSA-N
XLogP0.98
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylimidazol-1-yl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-methyl-2-(2-methylimidazol-1-yl)pyrimidine-5-carboxylic acid (CID 83181046) is 4-methyl-2-(2-methylimidazol-1-yl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(2-methylimidazol-1-yl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-(2-methylimidazol-1-yl)pyrimidine-5-carboxylic acid is Cc1nc(-n2ccnc2C)ncc1C(=O)O.
What is the InChIKey of 4-methyl-2-(2-methylimidazol-1-yl)pyrimidine-5-carboxylic acid?
The InChIKey is SPYNEXVZPSVZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-6-8(9(15)16)5-12-10(13-6)14-4-3-11-7(14)2/h3-5H,1-2H3,(H,15,16).
What are the key properties of 4-methyl-2-(2-methylimidazol-1-yl)pyrimidine-5-carboxylic acid?
4-methyl-2-(2-methylimidazol-1-yl)pyrimidine-5-carboxylic acid has a molecular weight of 218.22 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylimidazol-1-yl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 83181046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).