2-methyl-6-(1-methylindol-3-yl)pyrimidine-4-carboxylic acid

C15H13N3O2 — CID 82304798

IUPAC2-methyl-6-(1-methylindol-3-yl)pyrimidine-4-carboxylic acid
SMILESCc1nc(C(=O)O)cc(-c2cn(C)c3ccccc23)n1
InChIInChI=1S/C15H13N3O2/c1-9-16-12(7-13(17-9)15(19)20)11-8-18(2)14-6-4-3-5-10(11)14/h3-8H,1-2H3,(H,19,20)
InChIKeyXEGUUQLMSFQXAJ-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.64
Rot. Bonds2

About 2-methyl-6-(1-methylindol-3-yl)pyrimidine-4-carboxylic acid

2-methyl-6-(1-methylindol-3-yl)pyrimidine-4-carboxylic acid (PubChem CID 82304798) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-methyl-6-(1-methylindol-3-yl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-6-(1-methylindol-3-yl)pyrimidine-4-carboxylic acid
PubChem CID82304798
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-methyl-6-(1-methylindol-3-yl)pyrimidine-4-carboxylic acid
SMILESCc1nc(C(=O)O)cc(-c2cn(C)c3ccccc23)n1
InChIInChI=1S/C15H13N3O2/c1-9-16-12(7-13(17-9)15(19)20)11-8-18(2)14-6-4-3-5-10(11)14/h3-8H,1-2H3,(H,19,20)
InChIKeyXEGUUQLMSFQXAJ-UHFFFAOYSA-N
XLogP2.64
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(1-methylindol-3-yl)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-methyl-6-(1-methylindol-3-yl)pyrimidine-4-carboxylic acid (CID 82304798) is 2-methyl-6-(1-methylindol-3-yl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-6-(1-methylindol-3-yl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-6-(1-methylindol-3-yl)pyrimidine-4-carboxylic acid is Cc1nc(C(=O)O)cc(-c2cn(C)c3ccccc23)n1.
What is the InChIKey of 2-methyl-6-(1-methylindol-3-yl)pyrimidine-4-carboxylic acid?
The InChIKey is XEGUUQLMSFQXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-9-16-12(7-13(17-9)15(19)20)11-8-18(2)14-6-4-3-5-10(11)14/h3-8H,1-2H3,(H,19,20).
What are the key properties of 2-methyl-6-(1-methylindol-3-yl)pyrimidine-4-carboxylic acid?
2-methyl-6-(1-methylindol-3-yl)pyrimidine-4-carboxylic acid has a molecular weight of 267.29 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(1-methylindol-3-yl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 82304798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).