Basic information
- CAS
210538-72-0- Standard SMILES
Cc1ncc2c(n1)CCN(C(=O)OC(C)(C)C)C2- InChIKey
MFFOVBHZCZAHIG-UHFFFAOYSA-N- Molecular formula
- C13H19N3O2
- Average molar mass
- 249.31 g/mol
- Monoisotopic mass
- 249.14772686
Names & identifiers
- Preferred name
- tert-Butyl 2-methyl-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate
- IUPAC
- tert-butyl 2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
- English name
- Pyrido[4,3-d]pyrimidine-6(5H)-carboxylic acid, 7,8-dihydro-2-methyl-, 1,1-dimethylethyl ester
- Molecular formula
- C13H19N3O2
- Molecular weight
- 249.31
Names & synonyms
210538-72-0tert-Butyl 2-methyl-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylateMFCD11044688tert-butyl 2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylatePYRIDO[4,3-D]PYRIMIDINE-6(5H)-CARBOXYLIC ACID, 7,8-DIHYDRO-2-METHYL-, 1,1-DIMETHYLETHYL ESTERtert-butyl 2-methyl-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxylateSCHEMBL4869824DTXSID20740032MFFOVBHZCZAHIG-UHFFFAOYSA-NAKOS0168459622-Methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid tert-butyl esters11761
Show more names
1,1-Dimethylethyl 7,8-dihydro-2-methylpyrido[4,3-d]pyrimidine-6(5H)-carboxylate - [AC79945]
AS-80702DA-08277SY390902CS-0083462F6155486-Boc-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine6-Boc-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidinet-Butyl 2-methyl-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 55.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 314
Physicochemical properties
- Boiling point
- 361.2 · 361.2±42.0 °C(Predicted)
- Density
- 1.147 · 1.147±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 2.55 · 2.55±0.20(Predicted)
- Appearance
- Light yellow to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers16 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
苏州施亚生物科技有限公司17715136450 · [email protected]
苏州施亚生物科技有限公司86(512)5235 8471 17715136450 · [email protected]
南通博苏医药科技有限公司0513-51005092; 15962844273 · [email protected]
上海正夏医药科技有限公司13585673075
上海景容化学科技有限公司021-60546673 13701861782 · [email protected]
西安聚仁合鑫医药科技有限公司029-86518151 13629269978 · [email protected]
江阴康源生物医药科技有限公司0510-86010668 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
河北药成医药科技有限责任公司19903117580 19903117510 · [email protected]
Related reactions
2 records
Compound notes
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