2-Amino-1,4,5,6-tetrahydropyrimidine-5-carboxylic acid
Basic information
- CAS
158832-73-6- Standard SMILES
NC1=NCC(C(=O)O)CN1- InChIKey
PZWMQJZDDYQYGN-UHFFFAOYSA-N- Molecular formula
- C5H9N3O2
- Average molar mass
- 143.14 g/mol
- Monoisotopic mass
- 143.06947653
Names & identifiers
- Preferred name
- 2-Amino-1,4,5,6-tetrahydropyrimidine-5-carboxylic acid
- IUPAC
- 2-amino-1,4,5,6-tetrahydropyrimidine-5-carboxylic acid
- English name
- 5-Pyrimidinecarboxylicacid,2-amino-1,4,5,6-tetrahydro-(9CI)
- Molecular formula
- C5H9N3O2
- Molecular weight
- 143.14
Names & synonyms
2-amino-1,4,5,6-tetrahydropyrimidine-5-carboxylic Acid158832-73-6DTXSID70437102RefChem:255182DTXCID20387926CHEMBL3322886PZWMQJZDDYQYGN-UHFFFAOYSA-NSCHEMBL89152095-Pyrimidinecarboxylicacid,2-amino-1,4,5,6-tetrahydro-(9CI)BDBM50052801AKOS006349398EN300-261035
Show more names
5-Pyrimidinecarboxylic acid, 2-amino-1,4,5,6-tetrahydro-
2-amino-1,4,5,6-tetrahydropyrimidine-5-carboxylicAcid
Database identifiers
- CAS
158832-73-6- PubChem CID
- 10240915
- DTXSID
DTXSID70437102- ChEMBL
CHEMBL3322886
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- Boiling point
- 365.6 · 365.6±52.0 °C(Predicted)
- Density
- 1.68 · 1.68±0.1 g/cm3(Predicted)
- pka
- 3.83 · 3.83±0.20(Predicted)
Related reactions
1 records
Compound notes
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