[6-Amino-3-(2-cyanoethyl)-4,5-dihydropyrimidin-2-ylidene]cyanamide
Basic information
- CAS
71655-83-9- Standard SMILES
N#CCCN1CCC(N)=NC1=NC#N- InChIKey
NIXQCKQMXPCQKD-UHFFFAOYSA-N- Molecular formula
- C8H10N6
- Average molar mass
- 190.21 g/mol
- Monoisotopic mass
- 190.09669434
Names & identifiers
- Preferred name
- [6-Amino-3-(2-cyanoethyl)-4,5-dihydropyrimidin-2-ylidene]cyanamide
- IUPAC
- [6-amino-3-(2-cyanoethyl)-4,5-dihydropyrimidin-2-ylidene]cyanamide
Names & synonyms
71655-83-9MLS003171183NSC 361244NSC361244DTXSID50320548NSC-361244SMR001875090[(2Z)-4-Amino-1-(2-cyanoethyl)-5,6-dihydropyrimidin-2(1H)-ylidene]cyanamide
Database identifiers
- CAS
71655-83-9- PubChem CID
- 338465
- DTXSID
DTXSID50320548
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 362
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Compound notes
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