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

C21H24N6O3 — CID 175658467

IUPAC2,4-dimethoxy-6-[3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1,3,5-triazine
SMILESCOc1nc(OC)nc(N2CCCC(c3cncc(Oc4ccccc4C)n3)C2)n1
InChIInChI=1S/C21H24N6O3/c1-14-7-4-5-9-17(14)30-18-12-22-11-16(23-18)15-8-6-10-27(13-15)19-24-20(28-2)26-21(25-19)29-3/h4-5,7,9,11-12,15H,6,8,10,13H2,1-3H3
InChIKeyQLSZGUYPRPIVOK-UHFFFAOYSA-N
MW408.46 g/mol
LogP3.16
Rot. Bonds6

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

2,4-dimethoxy-6-[3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1,3,5-triazine (PubChem CID 175658467) has the molecular formula C21H24N6O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is 2,4-dimethoxy-6-[3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dimethoxy-6-[3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1,3,5-triazine
PubChem CID175658467
Molecular FormulaC21H24N6O3
Molecular Weight408.46 g/mol
Exact Mass408.19
IUPAC Name2,4-dimethoxy-6-[3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1,3,5-triazine
SMILESCOc1nc(OC)nc(N2CCCC(c3cncc(Oc4ccccc4C)n3)C2)n1
InChIInChI=1S/C21H24N6O3/c1-14-7-4-5-9-17(14)30-18-12-22-11-16(23-18)15-8-6-10-27(13-15)19-24-20(28-2)26-21(25-19)29-3/h4-5,7,9,11-12,15H,6,8,10,13H2,1-3H3
InChIKeyQLSZGUYPRPIVOK-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

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

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Related Compounds

2-methoxy-1-[(3S)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95822521
2-methoxy-1-[(3R)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95822520
3-methoxy-1-[(3S)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 124940932
2-(2-methoxyphenoxy)-6-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]pyrazine
CID 95823368
[(3S)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 95822780
[3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 110256498
2-amino-1-[(3S)-3-[6-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95823409
[(3S)-3-[6-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822293
[(3R)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 125024145
(4-benzyloxan-4-yl)-[(3R)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 124950943
[3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(pyrazol-1-ylmethyl)phenyl]methanone
CID 132767401
4,6-dimethyl-2-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]pyrimidine
CID 124959792

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-6-[3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1,3,5-triazine?
The IUPAC name of 2,4-dimethoxy-6-[3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1,3,5-triazine (CID 175658467) is 2,4-dimethoxy-6-[3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-dimethoxy-6-[3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-dimethoxy-6-[3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1,3,5-triazine is COc1nc(OC)nc(N2CCCC(c3cncc(Oc4ccccc4C)n3)C2)n1.
What is the InChIKey of 2,4-dimethoxy-6-[3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1,3,5-triazine?
The InChIKey is QLSZGUYPRPIVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3/c1-14-7-4-5-9-17(14)30-18-12-22-11-16(23-18)15-8-6-10-27(13-15)19-24-20(28-2)26-21(25-19)29-3/h4-5,7,9,11-12,15H,6,8,10,13H2,1-3H3.
What are the key properties of 2,4-dimethoxy-6-[3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1,3,5-triazine?
2,4-dimethoxy-6-[3-[6-(2-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-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1,3,5-triazine is sourced from PubChem (CID 175658467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).