2,4-dimethoxy-6-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1,3,5-triazine

C21H24N6O3 — CID 175655392

IUPAC2,4-dimethoxy-6-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1,3,5-triazine
SMILESCOc1nc(OC)nc(N2CCC(c3nccnc3Oc3cccc(C)c3)CC2)n1
InChIInChI=1S/C21H24N6O3/c1-14-5-4-6-16(13-14)30-18-17(22-9-10-23-18)15-7-11-27(12-8-15)19-24-20(28-2)26-21(25-19)29-3/h4-6,9-10,13,15H,7-8,11-12H2,1-3H3
InChIKeyLMOUIKXIQYMXFI-UHFFFAOYSA-N
MW408.46 g/mol
LogP3.16
Rot. Bonds6

About 2,4-dimethoxy-6-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1,3,5-triazine

2,4-dimethoxy-6-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1,3,5-triazine (PubChem CID 175655392) has the molecular formula C21H24N6O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is 2,4-dimethoxy-6-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dimethoxy-6-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1,3,5-triazine
PubChem CID175655392
Molecular FormulaC21H24N6O3
Molecular Weight408.46 g/mol
Exact Mass408.19
IUPAC Name2,4-dimethoxy-6-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1,3,5-triazine
SMILESCOc1nc(OC)nc(N2CCC(c3nccnc3Oc3cccc(C)c3)CC2)n1
InChIInChI=1S/C21H24N6O3/c1-14-5-4-6-16(13-14)30-18-17(22-9-10-23-18)15-7-11-27(12-8-15)19-24-20(28-2)26-21(25-19)29-3/h4-6,9-10,13,15H,7-8,11-12H2,1-3H3
InChIKeyLMOUIKXIQYMXFI-UHFFFAOYSA-N
XLogP3.16
TPSA95.38 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-6-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1,3,5-triazine?
The IUPAC name of 2,4-dimethoxy-6-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1,3,5-triazine (CID 175655392) is 2,4-dimethoxy-6-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-dimethoxy-6-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-dimethoxy-6-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1,3,5-triazine is COc1nc(OC)nc(N2CCC(c3nccnc3Oc3cccc(C)c3)CC2)n1.
What is the InChIKey of 2,4-dimethoxy-6-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1,3,5-triazine?
The InChIKey is LMOUIKXIQYMXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3/c1-14-5-4-6-16(13-14)30-18-17(22-9-10-23-18)15-7-11-27(12-8-15)19-24-20(28-2)26-21(25-19)29-3/h4-6,9-10,13,15H,7-8,11-12H2,1-3H3.
What are the key properties of 2,4-dimethoxy-6-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1,3,5-triazine?
2,4-dimethoxy-6-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1,3,5-triazine has a molecular weight of 408.46 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-6-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1,3,5-triazine is sourced from PubChem (CID 175655392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).