WOY
- Molecular formula
- C6 H7 N3
- Molecular weight (g/mol)
- 121.14
- Classification
- LIKELY_SYNTHETIC
Related PDB structures · 1
Names & identifiers
- IUPAC name
- 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
- SMILES
- c1c2c(ncn1)NCC2
- Isomeric SMILES
- c1c2c(ncn1)NCC2
- InChI
- InChI=1S/C6H7N3/c1-2-8-6-5(1)3-7-4-9-6/h3-4H,1-2H2,(H,7,8,9)
- InChIKey
- PANGDCFLXUDHDI-UHFFFAOYSA-N
Chemical & physical properties
- HBA
- 3
- HBD
- 1
- TPSA (Ų)
- 37.81
- cLogP
- 0.44
- Chiral atoms
- 0
- Molar refractivity
- 34.23
- Rings
- 2
- Aromatic rings
- 1
- Fraction Csp³
- 0.33
- Formal charge
- 0
Calculated properties
QED0.541
NPScore-0.12118978
SAScore7.009383747