3-(Pyrimidin-5-yl)prop-2-yn-1-ol
Basic information
- CAS
174456-28-1- Standard SMILES
OCC#Cc1cncnc1- InChIKey
HASOEWCDBMNTPE-UHFFFAOYSA-N- Molecular formula
- C7H6N2O
- Average molar mass
- 134.14 g/mol
Names & identifiers
- Preferred name
- 3-(Pyrimidin-5-yl)prop-2-yn-1-ol
- IUPAC
- 3-pyrimidin-5-ylprop-2-yn-1-ol
- English name
- 2-Propyn-1-ol, 3-(5-pyrimidinyl)- (9CI)
- Molecular formula
- C7H6N2O
- Molecular weight
- 134.14
Names & synonyms
3-(pyrimidin-5-yl)prop-2-yn-1-ol174456-28-13-(5-pyrimidinyl)-2-propyn-1-ol3-pyrimidin-5-ylprop-2-yn-1-olMFCD070222482-Propyn-1-ol, 3-(5-pyrimidinyl)- (9CI)SCHEMBL8922779SCHEMBL29154136STK784416AKOS0056220012-Propyn-1-ol, 3-(5-pyrimidinyl)-BS-50009
Show more names
2-Propyn-1-ol, 3-(5-pyrimidinyl)- (9CI) ISO 9001：2015 REACH
DA-09271ST091602SY359798CS-0324187E78430F3160773-(5-pyrimidinyl)-2-propyn-1-ol(SALTDATA: FREE)F8883-0909
Database identifiers
- CAS
174456-28-1- Nikkaji
- J2.356.562E
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 46 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Boiling point
- 290.7 · 290.7±20.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 13.23 · 13.23±0.10(Predicted)
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Related reactions
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Compound notes
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