6-methyl-2-(4-methyl-2-pyridinyl)pyrimidine-4-carboxylic acid

C12H11N3O2 — CID 63839625

IUPAC6-methyl-2-(4-methyl-2-pyridinyl)pyrimidine-4-carboxylic acid
SMILESCc1ccnc(-c2nc(C)cc(C(=O)O)n2)c1
InChIInChI=1S/C12H11N3O2/c1-7-3-4-13-9(5-7)11-14-8(2)6-10(15-11)12(16)17/h3-6H,1-2H3,(H,16,17)
InChIKeyGYOJIPHCTDXJSE-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.85
Rot. Bonds2

About 6-methyl-2-(4-methyl-2-pyridinyl)pyrimidine-4-carboxylic acid

6-methyl-2-(4-methyl-2-pyridinyl)pyrimidine-4-carboxylic acid (PubChem CID 63839625) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 6-methyl-2-(4-methyl-2-pyridinyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-(4-methyl-2-pyridinyl)pyrimidine-4-carboxylic acid
PubChem CID63839625
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name6-methyl-2-(4-methyl-2-pyridinyl)pyrimidine-4-carboxylic acid
SMILESCc1ccnc(-c2nc(C)cc(C(=O)O)n2)c1
InChIInChI=1S/C12H11N3O2/c1-7-3-4-13-9(5-7)11-14-8(2)6-10(15-11)12(16)17/h3-6H,1-2H3,(H,16,17)
InChIKeyGYOJIPHCTDXJSE-UHFFFAOYSA-N
XLogP1.85
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-methyl-2-pyridinyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-methyl-2-(4-methyl-2-pyridinyl)pyrimidine-4-carboxylic acid (CID 63839625) is 6-methyl-2-(4-methyl-2-pyridinyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-methyl-2-(4-methyl-2-pyridinyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-methyl-2-(4-methyl-2-pyridinyl)pyrimidine-4-carboxylic acid is Cc1ccnc(-c2nc(C)cc(C(=O)O)n2)c1.
What is the InChIKey of 6-methyl-2-(4-methyl-2-pyridinyl)pyrimidine-4-carboxylic acid?
The InChIKey is GYOJIPHCTDXJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-7-3-4-13-9(5-7)11-14-8(2)6-10(15-11)12(16)17/h3-6H,1-2H3,(H,16,17).
What are the key properties of 6-methyl-2-(4-methyl-2-pyridinyl)pyrimidine-4-carboxylic acid?
6-methyl-2-(4-methyl-2-pyridinyl)pyrimidine-4-carboxylic acid has a molecular weight of 229.24 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-methyl-2-pyridinyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 63839625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).