prop-2-yn-1-yl 1,4,5,6-tetrahydropyrimidine-5-carboxylate

prop-2-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate

CAS: 185444-95-5

Molecular Formula	`C8H10N2O2`
Molecular Weight	166.18 g/mol
LogP	-0.8
Topological Polar Surface Area	50.7 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	3
Exact Mass	166.07423
Heavy Atoms	12
Complexity	239.0

Chemical Identifiers

CAS Number	185444-95-5
SMILES	`C#CCOC(=O)C1CNC=NC1`
InChIKey	`KEBHGVXTLDRPHQ-UHFFFAOYSA-N`

📖 Product Overview

prop-2-yn-1-yl 1,4,5,6-tetrahydropyrimidine-5-carboxylate (CAS: 185444-95-5) is a chemical compound with molecular formula C8H10N2O2 and molecular weight 166.18 g/mol. Its IUPAC systematic name is prop-2-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate. LogP -0.8 Topological Polar Surface Area 50.7 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 3 Exact Mass 166.07423 Heavy Atoms 12 Complexity 239.0 InChI Key: KEBHGVXTLDRPHQ-UHFFFAOYSA-N. SMILES: C#CCOC(=O)C1CNC=NC1.

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