2-chloro-4-(1-methyl-1H-indol-4-ylamino)pyrimidine-5-carboxylic acid

HCID 57472012
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Basic information

Standard SMILES
Cn1ccc2c(Nc3nc(Cl)ncc3C(=O)O)cccc21
InChIKey
NTZAWXGXAHWRHB-UHFFFAOYSA-N
Molecular formula
C14H11ClN4O2
Average molar mass
302.71 g/mol

Names & identifiers

Preferred name
2-chloro-4-(1-methyl-1H-indol-4-ylamino)pyrimidine-5-carboxylic acid
IUPAC
2-chloro-4-[(1-methylindol-4-yl)amino]pyrimidine-5-carboxylic acid

Names & synonyms

SCHEMBL736478NTZAWXGXAHWRHB-UHFFFAOYSA-N2-chloro-4-(1-methyl-1H-indol-4-ylamino)pyrimidine-5-carboxylic acid

Database identifiers

PubChem CID
57472012

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
80 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
21

Related reactions

12 records
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Linked notes

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