Prop-2-yn-1-yl 1,4,5,6-tetrahydropyrimidine-5-carboxylate
Basic information
- CAS
185444-95-5- Standard SMILES
C#CCOC(=O)C1CN=CNC1- InChIKey
KEBHGVXTLDRPHQ-UHFFFAOYSA-N- Molecular formula
- C8H10N2O2
- Average molar mass
- 166.18 g/mol
- Monoisotopic mass
- 166.07422757
Names & identifiers
- Preferred name
- Prop-2-yn-1-yl 1,4,5,6-tetrahydropyrimidine-5-carboxylate
- IUPAC
- prop-2-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate
Names & synonyms
prop-2-yn-1-yl 1,4,5,6-tetrahydropyrimidine-5-carboxylate185444-95-52-Propyn-1-yl 1,4,5,6-tetrahydro-5-pyrimidinecarboxylateCHEMBL542065SCHEMBL9376390CHEMBL1191029DTXSID301236605CDD 0097BDBM50039843EBC-44160DB-393491EN300-2515775
Show more names
L0080171,4,5,6-Tetrahydro-pyrimidine-5-carboxylic acid prop-2-ynyl ester; hydrochloride
Database identifiers
- CAS
185444-95-5- PubChem CID
- 2606
- DTXSID
DTXSID301236605- ChEMBL
CHEMBL1191029、CHEMBL542065- Nikkaji
- J602.162J
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 239
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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