CAS
951-77-9 Purity
98%+
951-77-9 Purity
98%+
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1H-Pyrrole-3-carboxylic acid,5-(2-amino-4-pyrimidinyl)-2-(2,3-dimethylphenyl)-
CAS
951784-09-1
Catalog Number
ACM951784091
Category
Other Products
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What is the molecular formula of 1H-Pyrrole-3-carboxylic acid,5-(2-amino-4-pyrimidinyl)-2-(2,3-dimethylphenyl)-?
The molecular formula is C17H16N4O2.
What is the molecular weight of 1H-Pyrrole-3-carboxylic acid,5-(2-amino-4-pyrimidinyl)-2-(2,3-dimethylphenyl)-?
The molecular weight is 308.33 g/mol.
What is the IUPAC name of 1H-Pyrrole-3-carboxylic acid,5-(2-amino-4-pyrimidinyl)-2-(2,3-dimethylphenyl)-?
The IUPAC name is 5-(2-aminopyrimidin-4-yl)-2-(2,3-dimethylphenyl)-1H-pyrrole-3-carboxylic acid.
What is the InChI of 1H-Pyrrole-3-carboxylic acid,5-(2-amino-4-pyrimidinyl)-2-(2,3-dimethylphenyl)-?
The InChI is InChI=1S/C17H16N4O2/c1-9-4-3-5-11(10(9)2)15-12(16(22)23)8-14(20-15)13-6-7-19-17(18)21-13/h3-8,20H,1-2H3,(H,22,23)(H2,18,19,21).
What is the InChIKey of 1H-Pyrrole-3-carboxylic acid,5-(2-amino-4-pyrimidinyl)-2-(2,3-dimethylphenyl)-?
The InChIKey is XDCGYGIVCWGIAZ-UHFFFAOYSA-N.
What is the canonical SMILES of 1H-Pyrrole-3-carboxylic acid,5-(2-amino-4-pyrimidinyl)-2-(2,3-dimethylphenyl)-?
The canonical SMILES is CC1=C(C(=CC=C1)C2=C(C=C(N2)C3=NC(=NC=C3)N)C(=O)O).
What is the XLogP3-AA value of 1H-Pyrrole-3-carboxylic acid,5-(2-amino-4-pyrimidinyl)-2-(2,3-dimethylphenyl)-?
The XLogP3-AA value is 2.3.
How many hydrogen bond donor counts does 1H-Pyrrole-3-carboxylic acid,5-(2-amino-4-pyrimidinyl)-2-(2,3-dimethylphenyl)- have?
It has 3 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does 1H-Pyrrole-3-carboxylic acid,5-(2-amino-4-pyrimidinyl)-2-(2,3-dimethylphenyl)- have?
It has 5 hydrogen bond acceptor counts.
How many rotatable bond counts does 1H-Pyrrole-3-carboxylic acid,5-(2-amino-4-pyrimidinyl)-2-(2,3-dimethylphenyl)- have?
It has 3 rotatable bond counts.
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