Basic information
- CAS
1196154-90-1- Standard SMILES
c1ccc(-c2ncc3c(n2)CNCC3)cc1- InChIKey
PANVXLVRZWXBLS-UHFFFAOYSA-N- Molecular formula
- C13H13N3
- Average molar mass
- 211.26 g/mol
- Monoisotopic mass
- 211.11094743
Names & identifiers
- Preferred name
- 2-Phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
- IUPAC
- 2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
- English name
- 2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyriMidine
- Molecular formula
- C13H13N3
- Molecular weight
- 211.26
Names & synonyms
2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine1196154-90-1CHEMBL17703682-PHENYL-5,6,7,8-TETRAHYDRO-PYRIDO[3,4-D]PYRIMIDINESCHEMBL21042223DTXSID60712359BDBM50342550MFCD08060113AB43184SY384101DB-314278Pyrido[3,4-d]pyrimidine, 5,6,7,8-tetrahydro-2-phenyl-
Database identifiers
- CAS
1196154-90-1- PubChem CID
- 54585652
- DTXSID
DTXSID60712359- ChEMBL
CHEMBL1770368
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 37.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- storage temp.
- 2 · 2-8°C
Chemistry & industry
Suppliers5 total
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
郑州药领医药科技有限公司13526569071 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
南京毕科生物科技有限公司025-58906079 17352406906 · [email protected]
Nanjing Bicbiotechnology Co., Ltd+86-2552131256 +86-18251840740 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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