4,6-dimethyl-2-(2-methylpyrimidin-4-yl)pyrimidine-5-carboxylic acid

C12H12N4O2 — CID 113329643

IUPAC4,6-dimethyl-2-(2-methylpyrimidin-4-yl)pyrimidine-5-carboxylic acid
SMILESCc1nccc(-c2nc(C)c(C(=O)O)c(C)n2)n1
InChIInChI=1S/C12H12N4O2/c1-6-10(12(17)18)7(2)15-11(14-6)9-4-5-13-8(3)16-9/h4-5H,1-3H3,(H,17,18)
InChIKeyRROZMEMHDQRHSA-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.56
Rot. Bonds2

About 4,6-dimethyl-2-(2-methylpyrimidin-4-yl)pyrimidine-5-carboxylic acid

4,6-dimethyl-2-(2-methylpyrimidin-4-yl)pyrimidine-5-carboxylic acid (PubChem CID 113329643) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 4,6-dimethyl-2-(2-methylpyrimidin-4-yl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4,6-dimethyl-2-(2-methylpyrimidin-4-yl)pyrimidine-5-carboxylic acid
PubChem CID113329643
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name4,6-dimethyl-2-(2-methylpyrimidin-4-yl)pyrimidine-5-carboxylic acid
SMILESCc1nccc(-c2nc(C)c(C(=O)O)c(C)n2)n1
InChIInChI=1S/C12H12N4O2/c1-6-10(12(17)18)7(2)15-11(14-6)9-4-5-13-8(3)16-9/h4-5H,1-3H3,(H,17,18)
InChIKeyRROZMEMHDQRHSA-UHFFFAOYSA-N
XLogP1.56
TPSA88.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(2-methylpyrimidin-4-yl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4,6-dimethyl-2-(2-methylpyrimidin-4-yl)pyrimidine-5-carboxylic acid (CID 113329643) is 4,6-dimethyl-2-(2-methylpyrimidin-4-yl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4,6-dimethyl-2-(2-methylpyrimidin-4-yl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4,6-dimethyl-2-(2-methylpyrimidin-4-yl)pyrimidine-5-carboxylic acid is Cc1nccc(-c2nc(C)c(C(=O)O)c(C)n2)n1.
What is the InChIKey of 4,6-dimethyl-2-(2-methylpyrimidin-4-yl)pyrimidine-5-carboxylic acid?
The InChIKey is RROZMEMHDQRHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-6-10(12(17)18)7(2)15-11(14-6)9-4-5-13-8(3)16-9/h4-5H,1-3H3,(H,17,18).
What are the key properties of 4,6-dimethyl-2-(2-methylpyrimidin-4-yl)pyrimidine-5-carboxylic acid?
4,6-dimethyl-2-(2-methylpyrimidin-4-yl)pyrimidine-5-carboxylic acid has a molecular weight of 244.25 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(2-methylpyrimidin-4-yl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 113329643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).