5-(2-Aminopyrimidin-4-yl)-2-(5-methylthiophen-2-yl)-1H-pyrrole-3-carboxylic acid
Basic information
- CAS
951784-27-3- Standard SMILES
Cc1ccc(-c2[nH]c(-c3ccnc(N)n3)cc2C(=O)O)s1- InChIKey
YYRKFGWMDRVZEG-UHFFFAOYSA-N- Molecular formula
- C14H12N4O2S
- Average molar mass
- 300.34 g/mol
- Monoisotopic mass
- 300.06809681
Names & identifiers
- Preferred name
- 5-(2-Aminopyrimidin-4-yl)-2-(5-methylthiophen-2-yl)-1H-pyrrole-3-carboxylic acid
- IUPAC
- 5-(2-aminopyrimidin-4-yl)-2-(5-methylthiophen-2-yl)-1H-pyrrole-3-carboxylic acid
- English name
- 1H-Pyrrole-3-carboxylic acid, 5-(2-amino-4-pyrimidinyl)-2-(5-methyl-2-thienyl)-
- Molecular formula
- C14H12N4O2S
- Molecular weight
- 0
Names & synonyms
951784-27-35-(2-Aminopyrimidin-4-yl)-2-(5-methylthiophen-2-yl)-1H-pyrrole-3-carboxylic acidSCHEMBL4194947DTXSID306691091H-Pyrrole-3-carboxylic acid, 5-(2-amino-4-pyrimidinyl)-2-(5-methyl-2-thienyl)-
Database identifiers
- CAS
951784-27-3- PubChem CID
- 45121027
- DTXSID
DTXSID30669109
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 397
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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