4-Ethoxy-6-methylpyrimidine

CAT: 0024-sc-336417Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-336417Size:1 g

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CAS Number

4718-50-7

Chemical Information

4-Ethoxy-6-methylpyrimidine

CAS Number	4718-50-7
PubChem CID	12632159
IUPAC Name	4-ethoxy-6-methylpyrimidine
Molecular Formula	C7H10N2O
Molecular Weight	138.17
XLogP	1.2
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	97

SMILES

CCOC1=NC=NC(=C1)C

InChI

InChI=1S/C7H10N2O/c1-3-10-7-4-6(2)8-5-9-7/h4-5H,3H2,1-2H3

InChIKey

QLDRYHLVZLBDNF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4718-50-7

CID: 12632159

Formula: C7H10N2O

MW: 138.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	138.17
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	138.079312947
Monoisotopic Mass	138.079312947
Topological Polar Surface Area	35 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	97.6
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
sc-496023	4-Ethoxy-2-isopropyl-6-methylpyrimidine
sc-507017	4-Chloro-6-methylpyrimidine
sc-481238	4,6-Dimethoxy-2-methylpyrimidine
sc-217044	4,6-Dihydroxy-5-methylpyrimidine
sc-483918	4,5-Dichloro-6-methylpyrimidine
sc-254743	4,6-Dihydroxy-2-methylpyrimidine
sc-217040	4,6-Dichloro-5-methylpyrimidine
sc-254742	4,6-Dichloro-2-methylpyrimidine
sc-230978	2,4-Dimethoxy-6-methylpyrimidine
sc-220796	2,4-Dichloro-6-methylpyrimidine

Catalog	Name
abx180540-01	4-Ethoxy-6-Methylpyrimidine
OR1077307-01	4-Chloro-6-ethoxy-2-methylpyrimidine
432152-01	4-Ethoxy-2-isopropyl-6-methylpyrimidine
OR1052042-01	4-Ethoxy-2-methylpyrimidine
KFA29236-01	2-Chloro-4-ethoxy-5-methylpyrimidine
OR1085513	2-Ethoxy-5-methylpyrimidine
BAA07353-01	6-Methylpyrimidine-4-carbaldehyde
431147-01	4-Bromo-6-methylpyrimidine
abx180531-01	4-Chloro-6-methylpyrimidine
abx183607-01	4-Hydroxy-6-methylpyrimidine