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

C21H24N6O3 — CID 175657942

IUPAC2,4-dimethoxy-6-[3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1,3,5-triazine
SMILESCOc1nc(OC)nc(N2CCCC(c3nccnc3Oc3ccc(C)cc3)C2)n1
InChIInChI=1S/C21H24N6O3/c1-14-6-8-16(9-7-14)30-18-17(22-10-11-23-18)15-5-4-12-27(13-15)19-24-20(28-2)26-21(25-19)29-3/h6-11,15H,4-5,12-13H2,1-3H3
InChIKeyUJOGBKYFTDJING-UHFFFAOYSA-N
MW408.46 g/mol
LogP3.16
Rot. Bonds6

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

2,4-dimethoxy-6-[3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1,3,5-triazine (PubChem CID 175657942) has the molecular formula C21H24N6O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is 2,4-dimethoxy-6-[3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dimethoxy-6-[3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1,3,5-triazine
PubChem CID175657942
Molecular FormulaC21H24N6O3
Molecular Weight408.46 g/mol
Exact Mass408.19
IUPAC Name2,4-dimethoxy-6-[3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1,3,5-triazine
SMILESCOc1nc(OC)nc(N2CCCC(c3nccnc3Oc3ccc(C)cc3)C2)n1
InChIInChI=1S/C21H24N6O3/c1-14-6-8-16(9-7-14)30-18-17(22-10-11-23-18)15-5-4-12-27(13-15)19-24-20(28-2)26-21(25-19)29-3/h6-11,15H,4-5,12-13H2,1-3H3
InChIKeyUJOGBKYFTDJING-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-[3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1,3,5-triazine?
The IUPAC name of 2,4-dimethoxy-6-[3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1,3,5-triazine (CID 175657942) is 2,4-dimethoxy-6-[3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-dimethoxy-6-[3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-dimethoxy-6-[3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1,3,5-triazine is COc1nc(OC)nc(N2CCCC(c3nccnc3Oc3ccc(C)cc3)C2)n1.
What is the InChIKey of 2,4-dimethoxy-6-[3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1,3,5-triazine?
The InChIKey is UJOGBKYFTDJING-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3/c1-14-6-8-16(9-7-14)30-18-17(22-10-11-23-18)15-5-4-12-27(13-15)19-24-20(28-2)26-21(25-19)29-3/h6-11,15H,4-5,12-13H2,1-3H3.
What are the key properties of 2,4-dimethoxy-6-[3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1,3,5-triazine?
2,4-dimethoxy-6-[3-[3-(4-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-[3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1,3,5-triazine is sourced from PubChem (CID 175657942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).