2-Ethynyl-4-methoxypyrimidine

CAT: 0926-LGA48904-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-LGA48904-01Size:100 mg

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CAS Number

161489-04-9

MDL Number

MFCD26406950

Smiles

COC1=NC (=NC=C1) C#C

Molecular Formula

C7H6N2O

Molecular Weight

134.14 g/mol

Controlled

Chemical Information

2-Ethynyl-4-methoxypyrimidine

CAS Number	161489-04-9
PubChem CID	10011938
IUPAC Name	2-ethynyl-4-methoxypyrimidine
Molecular Formula	C7H6N2O
Molecular Weight	134.14
XLogP	0.8
Topological Polar Surface Area	35
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	10
Formal Charge	0
Complexity	149

SMILES

COC1=NC(=NC=C1)C#C

InChI

InChI=1S/C7H6N2O/c1-3-6-8-5-4-7(9-6)10-2/h1,4-5H,2H3

InChIKey

YEUPWWFSFTVXRI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 161489-04-9

CID: 10011938

Formula: C7H6N2O

MW: 134.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	134.14
XLogP3	0.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	134.048012819
Monoisotopic Mass	134.048012819
Topological Polar Surface Area	35 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	149
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
LYB53395-01	2-Ethynyl-4-methoxypyridine
KSB81639-01	4-Ethynyl-2-methoxypyridine
NA44306-01	2-Amino-4-methoxypyrimidine
UMB90138-01	4- (Chloromethyl) -2-methoxypyrimidine
NB44324-01	4-Bromo-2-methoxypyrimidine
NA57396-01	4-Amino-2-methoxypyrimidine
UDA78937-01	4-Methoxypyrimidine-2-carbonitrile
SBC36935-01	4-Methoxypyrimidine-2-carbaldehyde
JBD32726-01	4-Methoxypyrimidine-2-carboxamide
AAA93163	2-Methoxypyrimidine

Catalog	Name
OR1001229	2-Ethynyl-5-methoxypyrimidine
OR86030-01	5-Ethynyl-2-methoxypyrimidine
295389-01	4-Amino-2-methoxypyrimidine
sc-225280	2-Chloro-4-methoxypyrimidine
OR30542-01	4-Hydroxy-2-methoxypyrimidine
OR40024-01	2-Amino-4-methoxypyrimidine
sc-261877	4-Chloro-2-methoxypyrimidine
OR905384-01	2-Methoxypyrimidine-4-carbaldehyde
TRC-B687860-1G	2-Bromo-4-methoxypyrimidine
OR931975-01	4- (Dimethoxymethyl) -2-methoxypyrimidine