2-chloro-4-methoxy-6-(3-methoxypyrazin-2-yl)-1,3,5-triazine

C9H8ClN5O2 — CID 104516518

IUPAC2-chloro-4-methoxy-6-(3-methoxypyrazin-2-yl)-1,3,5-triazine
SMILESCOc1nc(Cl)nc(-c2nccnc2OC)n1
InChIInChI=1S/C9H8ClN5O2/c1-16-7-5(11-3-4-12-7)6-13-8(10)15-9(14-6)17-2/h3-4H,1-2H3
InChIKeyHSLNGLBTBQIGGX-UHFFFAOYSA-N
MW253.65 g/mol
LogP1.00
Rot. Bonds3

About 2-chloro-4-methoxy-6-(3-methoxypyrazin-2-yl)-1,3,5-triazine

2-chloro-4-methoxy-6-(3-methoxypyrazin-2-yl)-1,3,5-triazine (PubChem CID 104516518) has the molecular formula C9H8ClN5O2 and a molecular weight of 253.65 g/mol. Its IUPAC name is 2-chloro-4-methoxy-6-(3-methoxypyrazin-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-methoxy-6-(3-methoxypyrazin-2-yl)-1,3,5-triazine
PubChem CID104516518
Molecular FormulaC9H8ClN5O2
Molecular Weight253.65 g/mol
Exact Mass253.04
IUPAC Name2-chloro-4-methoxy-6-(3-methoxypyrazin-2-yl)-1,3,5-triazine
SMILESCOc1nc(Cl)nc(-c2nccnc2OC)n1
InChIInChI=1S/C9H8ClN5O2/c1-16-7-5(11-3-4-12-7)6-13-8(10)15-9(14-6)17-2/h3-4H,1-2H3
InChIKeyHSLNGLBTBQIGGX-UHFFFAOYSA-N
XLogP1.00
TPSA82.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-ethoxy-6-(3-methoxypyrazin-2-yl)-1,3,5-triazin-2-amine
CID 113421721
2-chloro-4-methoxy-6-(3-methyl-4-pyridinyl)-1,3,5-triazine
CID 66279714
4-chloro-3-(3-methoxypyrazin-2-yl)benzoic acid
CID 107989853
2-chloro-4-methoxy-6-(2,4,5-trifluorophenyl)-1,3,5-triazine
CID 115503226
4-chloro-2-(3-methoxypyrazin-2-yl)-1,3-thiazole
CID 104516513
2-chloro-4-methoxy-6-(2-methylthiophen-3-yl)-1,3,5-triazine
CID 102838231
2-chloro-4-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]ethoxy]-6-methoxy-1,3,5-triazine
CID 14177471
2-(5-chloropyrimidin-4-yl)-3-methoxypyrazine
CID 105371526
2-(6-chloropyrimidin-4-yl)-3-methoxypyrazine
CID 104516547
2-chloro-4-methoxy-6-(4-phenylsulfanylphenyl)-1,3,5-triazine
CID 176887965
4-chloro-6-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)pyrimidine
CID 106769030
4-imidazol-1-yl-6-(3-methoxypyrazin-2-yl)-1,3,5-triazin-2-amine
CID 104516651

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-6-(3-methoxypyrazin-2-yl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-methoxy-6-(3-methoxypyrazin-2-yl)-1,3,5-triazine (CID 104516518) is 2-chloro-4-methoxy-6-(3-methoxypyrazin-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-methoxy-6-(3-methoxypyrazin-2-yl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-methoxy-6-(3-methoxypyrazin-2-yl)-1,3,5-triazine is COc1nc(Cl)nc(-c2nccnc2OC)n1.
What is the InChIKey of 2-chloro-4-methoxy-6-(3-methoxypyrazin-2-yl)-1,3,5-triazine?
The InChIKey is HSLNGLBTBQIGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5O2/c1-16-7-5(11-3-4-12-7)6-13-8(10)15-9(14-6)17-2/h3-4H,1-2H3.
What are the key properties of 2-chloro-4-methoxy-6-(3-methoxypyrazin-2-yl)-1,3,5-triazine?
2-chloro-4-methoxy-6-(3-methoxypyrazin-2-yl)-1,3,5-triazine has a molecular weight of 253.65 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxy-6-(3-methoxypyrazin-2-yl)-1,3,5-triazine is sourced from PubChem (CID 104516518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).