2,4-Diaminoquinazoline-6-carbonitrile

HCID 282699

Notes Reactions

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Basic information

CAS: 18917-68-5
Standard SMILES: N#Cc1ccc2nc(N)nc(N)c2c1
InChIKey: FGNJZOQLZLEBME-UHFFFAOYSA-N
Molecular formula: C9H7N5
Average molar mass: 185.19 g/mol
Monoisotopic mass: 185.07014522

Names & identifiers

Preferred name: 2,4-Diaminoquinazoline-6-carbonitrile
IUPAC: 2,4-diaminoquinazoline-6-carbonitrile

Names & synonyms

2,4-diaminoquinazoline-6-carbonitrile18917-68-5DTXSID40300379RefChem:246104DTXCID40251514CHEMBL7246NSC136516SCHEMBL58846032,4-diamino-6-cyanoquinazoline6-cyano-2,4-diaminoquinazolineFGNJZOQLZLEBME-UHFFFAOYSA-NBDBM50404671

Show more names

NSC-136516

Database identifiers

CAS: 18917-68-5
PubChem CID: 282699
DTXSID: DTXSID40300379
ChEMBL: CHEMBL7246

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 102 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 257

Related reactions

4 records

New reaction record

HRID 52616As productuspto-grants-1997_04

HRID 170762As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 363751As productuspto-grants-1999_02

HRID 1734578As productuspto-grants-1996_07

Compound notes

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