5-Methoxypyrimidine - CAS 31458-33-0

Name: 5-Methoxypyrimidine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB020925
Product Name:	5-Methoxypyrimidine
CAS:	31458-33-0
Synonyms:	5-methoxypyrimidine; 5-methoxypyrimidine

Technical Data

Patents

Computed Properties

IUPAC Name:	5-methoxypyrimidine
Description:	5-Methoxypyrimidine (CAS# 31458-33-0) is a compound useful in organic synthesis.
Molecular Weight:	110.11
Molecular Formula:	C5H6N2O
Canonical SMILES:	COC1=CN=CN=C1
InChI:	InChI=1S/C5H6N2O/c1-8-5-2-6-4-7-3-5/h2-4H,1H3
InChI Key:	JIADELSANNMYFC-UHFFFAOYSA-N
Boiling Point:	181.7 °C at 760 mmHg
Density:	1.102 g/cm³
MDL:	MFCD04971313
LogP:	0.48520

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Related Functional Groups

Other Pyrimidines

[452-76-6]C7H6F2
2,4-Difluorotoluene
[13566-71-7]C10H8N2O2
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[451-46-7]C9H9FO2
Ethyl 4-fluorobenzoate
[551-62-2]C6H2F4
1,2,3,4-Tetrafluorobenzene
[860790-29-0]C11H15F3N4
N-[4-Cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]propane-1,3-diamine
[67490-21-5]C16H28N2
2,4,6-Tri-tert-butylpyrimidine

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Complexity:	61.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	110.048012819
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	110.048012819
Rotatable Bond Count:	1
Topological Polar Surface Area:	35
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1