N-(5-aminopyrimidin-2-yl)benzamide

HCID 11499482

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 331806-98-5
Standard SMILES: Nc1cnc(NC(=O)c2ccccc2)nc1
InChIKey: LNFQIIJBXJNNFI-UHFFFAOYSA-N
Molecular formula: C11H10N4O
Average molar mass: 214.22 g/mol
Monoisotopic mass: 214.08546094

Names & identifiers

Preferred name: N-(5-aminopyrimidin-2-yl)benzamide
IUPAC: N-(5-aminopyrimidin-2-yl)benzamide

Names & synonyms

N-(5-aminopyrimidin-2-yl)benzamide331806-98-5SCHEMBL678202SCHEMBL4977587DTXSID40467618LNFQIIJBXJNNFI-UHFFFAOYSA-N2-(N-benzoyl)amino-5-aminopyrimidineN-(5-Amino-pyrimidin-2-yl)-benzamide

Database identifiers

CAS: 331806-98-5
PubChem CID: 11499482
DTXSID: DTXSID40467618
Nikkaji: J2.234.330K

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 80.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 232

Related reactions

8 records

New reaction record

HRID 503573As reactantuspto-grants-2010_08

HRID 696795As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 714577As productuspto-grants-2015_11

HRID 1013698As reactantuspto-grants-2011_07

HRID 1042838As reactantuspto-grants-2013_10

HRID 1568640As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1686007As reactantuspto-grants-2012_04

HRID 1767722As productuspto-grants-2007_06

Compound notes

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