Basic information
- Standard SMILES
CC(=O)c1cc(N=c2cc(C)n(C)c(N)n2)cc(C(C)=O)c1- InChIKey
ZXIPHGZDAXPXBX-UHFFFAOYSA-N- Molecular formula
- C16H18N4O2
- Average molar mass
- 298.34 g/mol
- Monoisotopic mass
- 298.14297582
Names & identifiers
- Preferred name
- 2-Amino-4-(3,5-diacetylphenyl)imino-1,4-dihydro-1,6-dimethylpyrimidine
- IUPAC
- 1-[3-acetyl-5-[(2-amino-1,6-dimethylpyrimidin-4-ylidene)amino]phenyl]ethanone
Names & synonyms
2-amino-4-(3,5-diacetylphenyl)imino-1,4-dihydro-1,6-dimethylpyrimidineSCHEMBL3498557SCHEMBL3498560ITI-H0294DTXSID60936937ZXIPHGZDAXPXBX-UHFFFAOYSA-NCNI-H 02941-[3-acetyl-5-[(2-amino-1,6-dimethylpyrimidin-4-ylidene)amino]phenyl]ethanone164301-27-32-amino-4-(3,5-diacetylphenyl) imino-1,4-dihydro-1,6-dimethylpyrimidine1-[3-acetyl-5-[(E)-(2-amino-1,6-dimethyl-pyrimidin-4-ylidene)amino]phenyl]ethanone1,1'-(5-((2-Amino-1,6-dimethylpyrimidin-4(1H)-ylidene)amino)-1,3-phenylene)bis(ethan-1-one)
Show more names
1,1'-{5-[(2-Imino-1,6-dimethyl-2,3-dihydropyrimidin-4(1H)-ylidene)amino]-1,3-phenylene}di(ethan-1-one)180740-98-1Ethanone, 1,1'-[5-[(2-amino-1,6-dimethyl-4(1H)-pyrimidinylidene)amino]-1,3-phenylene]bis-
Database identifiers
- CAS
164301-27-3- PubChem CID
- 73089
- DTXSID
DTXSID60936937- Nikkaji
- J1.942.830C
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 555
Related reactions
4 records
Linked notes
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