Basic information
- CAS
21635-40-5- Standard SMILES
Cc1ccccc1-n1c(C)nc2nccnc2c1=O- InChIKey
NCESXFWKDXOHFT-UHFFFAOYSA-N- Molecular formula
- C14H12N4O
- Average molar mass
- 252.27 g/mol
- Monoisotopic mass
- 252.101111
Names & identifiers
- Preferred name
- 4(3H)-Pteridinone, 2-methyl-3-(o-tolyl)-
- IUPAC
- 2-methyl-3-(2-methylphenyl)pteridin-4-one
- English name
- 2-Methyl-3-(o-tolyl)-4(3H)-pteridinone
- Molecular formula
- C14H12N4O
- Molecular weight
- 252.27
Names & synonyms
2-Methyl-3-(o-tolyl)-4(3H)-pteridinoneBRN 099867321635-40-54(3H)-Pteridinone, 2-methyl-3-(o-tolyl)-DTXSID101760285-26-13-00325 (Beilstein Handbook Reference)RefChem:283710DTXCID90985192-methyl-3-(2-methylphenyl)pteridin-4(3h)-oneSCHEMBL6221249NCESXFWKDXOHFT-UHFFFAOYSA-N2-methyl-3-(2-methyl-phenyl)-3H-pteridin-4-one
Show more names
4(3H)-Pteridinone, 2-methyl-3-(2-methylphenyl)-
Database identifiers
- CAS
21635-40-5- PubChem CID
- 210797
- DTXSID
DTXSID10176028- Nikkaji
- J113.490F
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 58.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 395
Related reactions
5 records
Compound notes
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