Basic information
- CAS
1215986-09-6- Standard SMILES
Nc1nccc(N2CCCC2)n1- InChIKey
LKQBPINQCZDQBX-UHFFFAOYSA-N- Molecular formula
- C8H12N4
- Average molar mass
- 164.21 g/mol
- Monoisotopic mass
- 164.1061964
Names & identifiers
- Preferred name
- 4-(Pyrrolidin-1-YL)pyrimidin-2-amine
- IUPAC
- 4-pyrrolidin-1-ylpyrimidin-2-amine
- English name
- 4-(pyrrolidin-1-yl)pyrimidin-2-amine
- Molecular formula
- C8H12N4
- Molecular weight
- 164.21
Names & synonyms
4-(PYRROLIDIN-1-YL)PYRIMIDIN-2-AMINE1215986-09-64-pyrrolidin-1-ylpyrimidin-2-amine2-Pyrimidinamine, 4-(1-pyrrolidinyl)-SCHEMBL14880196DTXSID90695348LKQBPINQCZDQBX-UHFFFAOYSA-N2-Amino-4-(pyrrolidino)pyrimidineAKOS015943158SB56192CS-37718DB-294872
Database identifiers
- CAS
1215986-09-6- PubChem CID
- 53404243
- DTXSID
DTXSID90695348
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 144
Physicochemical properties
- Boiling point
- 384.6 · 384.6±34.0 °C(Predicted)
- Density
- 1.237 · 1.237±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 7.62 · 7.62±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers7 total
浙江雅辰药物科技股份有限公司13674959855 13674959855 · [email protected]
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四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
济南鑫宏泰化学有限公司13000000000 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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