WTM
- Molecular formula
- C19 H17 F N4 O4
- Molecular weight (g/mol)
- 384.37
- Classification
- LIKELY_SYNTHETIC
Related PDB structures · 1
Names & identifiers
- IUPAC name
- 2-(2-fluorophenyl)-5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-1,6-dihydropyrimidine-4-carboxamide
- SMILES
- COc1cc(ccn1)CCNC(=O)C2=C(C(=O)NC(=N2)c3ccccc3F)O
- Isomeric SMILES
- COc1cc(ccn1)CCNC(=O)C2=C(C(=O)NC(=N2)c3ccccc3F)O
- InChI
- InChI=1S/C19H17FN4O4/c1-28-14-10-11(6-8-21-14)7-9-22-18(26)15-16(25)19(27)24-17(23-15)12-4-2-3-5-13(12)20/h2-6,8,10,25H,7,9H2,1H3,(H,22,26)(H,23,24,27)
- InChIKey
- UVUDZFBAAXHOBN-UHFFFAOYSA-N
Chemical & physical properties
- HBA
- 6
- HBD
- 3
- TPSA (Ų)
- 117.2
- cLogP
- 1.66
- Chiral atoms
- 0
- Molar refractivity
- 98.74
- Rings
- 3
- Aromatic rings
- 3
- Fraction Csp³
- 0.16
- Formal charge
- 0
Calculated properties
QED0.595
NPScore-0.279564745
SAScore7.303955049