4-Chloro-2-(1-cyano-1-methylethylamino)-6-ethylamino-5-pyrimidinecarbonitrile
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Basic information
- Standard SMILES
CCNc1nc(NC(C)(C)C#N)nc(Cl)c1C#N- InChIKey
FSVHRJVWYCRBMM-UHFFFAOYSA-N- Molecular formula
- C11H13ClN6
- Average molar mass
- 264.71 g/mol
- Monoisotopic mass
- 264.0890221
Names & identifiers
- Preferred name
- 4-Chloro-2-(1-cyano-1-methylethylamino)-6-ethylamino-5-pyrimidinecarbonitrile
- IUPAC
- 4-chloro-2-(2-cyanopropan-2-ylamino)-6-(ethylamino)pyrimidine-5-carbonitrile
Names & synonyms
SCHEMBL11173575FSVHRJVWYCRBMM-UHFFFAOYSA-N4-chloro-2-(1-cyano-1-methylethylamino)-6-ethylamino-5-pyrimidinecarbonitrile
Database identifiers
- PubChem CID
- 53816645
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 97.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 377
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Related reactions
8 records
Compound notes
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