2-Amino-4-(3,5-diacetylphenyl)imino-1,4-dihydro-1,6-dimethylpyrimidine

HCID 73089CAS 164301-27-3

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

Related reactions

4 records

Linked notes

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