CAS
951771-31-6 Purity
96%
951771-31-6 Purity
96%
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1H-Pyrrole-3-carboxylic acid,5-(2-amino-4-pyrimidinyl)-2-(2-methylphenyl)-
CAS
951784-05-7
Catalog Number
ACM951784057
Category
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What is the IUPAC name of the compound?
The IUPAC name of the compound is 5-(2-aminopyrimidin-4-yl)-2-(2-methylphenyl)-1H-pyrrole-3-carboxylic acid.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C16H14N4O2/c1-9-4-2-3-5-10(9)14-11(15(21)22)8-13(19-14)12-6-7-18-16(17)20-12/h2-8,19H,1H3,(H,21,22)(H2,17,18,20).
What is the InChIKey of the compound?
The InChIKey of the compound is UGZGKQMTRPOJHW-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CC1=CC=CC=C1C2=C(C=C(N2)C3=NC(=NC=C3)N)C(=O)O.
What is the molecular weight of the compound?
The molecular weight of the compound is 294.31 g/mol.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 1.9.
How many hydrogen bond donor counts does the compound have?
The compound has 3 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 5 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 3 rotatable bond counts.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 105 Å2.
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