Basic information
- CAS
40199-40-4- Standard SMILES
Nc1nc(N=Nc2ccc(O)cc2)cc(=O)[nH]1- InChIKey
REZVRJZHTFIXDK-UHFFFAOYSA-N- Molecular formula
- C10H9N5O2
- Average molar mass
- 231.21 g/mol
- Monoisotopic mass
- 231.07562455
Overview
inhibits replication of DNA; Chemline contains another cpd of this name minus the 2-amino group (RN:39145-62-5)
Names & identifiers
- Preferred name
- 6-(4-Hydroxyphenylazo)isocytosine
- IUPAC
- 2-amino-4-[(4-hydroxyphenyl)diazenyl]-1H-pyrimidin-6-one
Names & synonyms
6-(p-Hydroxyphenylazo)isocytosine6-(4-Hydroxyphenylazo)isocytosineD4E2DLB4AK40199-40-4NSC-1965774(1H)-Pyrimidinone, 2-amino-6-[(4-hydroxyphenyl)azo]-2-Amino-6-((4-hydroxyphenyl)azo)-4(1H)-pyrimidinone4(1H)-Pyrimidinone, 2-amino-6-((4-hydroxyphenyl)azo)-RefChem:913779MLS003107058NSC196577NSC 196577
Show more names
CHEMBL1886015SMR001821939DS-0156246-(p-hydroxyphenylazo)-2-amino-4-oxo-pyrimidine4-Pyrimidinol, 2-amino-6-[(p-hydroxyphenyl)azo]-2-amino-6-[2-(4-hydroxyphenyl)diazen-1-yl]pyrimidin-4-ol2-Amino-6-[2-(4-hydroxyphenyl)diazenyl]-4(3H)-pyrimidinone4(3H)-Pyrimidinone, 2-amino-6-[2-(4-hydroxyphenyl)diazenyl]-
Database identifiers
- CAS
40199-40-4- PubChem CID
- 135452425
- ChEMBL
CHEMBL1886015- UNII
- D4E2DLB4AK
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 394
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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