Completing data — usually done within a minute
Basic information
- CAS
98772-05-5- Standard SMILES
CC(C)COc1ccccc1Nc1ncc(C(=O)O)c(=O)[nH]1- InChIKey
ZKPYFMVPKVVIRW-UHFFFAOYSA-N- Molecular formula
- C15H17N3O4
- Average molar mass
- 303.31 g/mol
Names & identifiers
- Preferred name
- Mar 99
- IUPAC
- 2-[2-(2-methylpropoxy)anilino]-6-oxo-1H-pyrimidine-5-carboxylic acid
Names & synonyms
MAR-99V20L9HCC73RefChem:9253185-Pyrimidinecarboxylic acid, 1,4-dihydro-2-((2-(2-methylpropoxy)phenyl)amino)-4-oxo-98772-05-5Mar 991,6-dihydro-2-[2-(2-methylpropoxy)anilino]-6-oxo-5-pyrimidinecarboxylic acidSCHEMBL6456385ZKPYFMVPKVVIRW-UHFFFAOYSA-NQ272914262-[2-(2-methylpropoxy)anilino]-6-oxo-1H-pyrimidine-5-carboxylic acid5-PYRIMIDINECARBOXYLIC ACID, 1,6-DIHYDRO-2-((2-(2-METHYLPROPOXY)PHENYL)AMINO)-6-OXO-
Database identifiers
- CAS
98772-05-5- PubChem CID
- 9817898
- UNII
- V20L9HCC73
- Nikkaji
- J580.218K
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 499
Related reactions
3 records
Compound notes
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