4-[4-(azepan-1-yl)-6-(4-ethenyl-2-pyridinyl)-1,3,5-triazin-2-yl]morpholine

C20H26N6O — CID 122592521

IUPAC4-[4-(azepan-1-yl)-6-(4-ethenyl-2-pyridinyl)-1,3,5-triazin-2-yl]morpholine
SMILESC=Cc1ccnc(-c2nc(N3CCCCCC3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C20H26N6O/c1-2-16-7-8-21-17(15-16)18-22-19(25-9-5-3-4-6-10-25)24-20(23-18)26-11-13-27-14-12-26/h2,7-8,15H,1,3-6,9-14H2
InChIKeyPTMWXHWWSJPCMR-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.79
Rot. Bonds4

About 4-[4-(azepan-1-yl)-6-(4-ethenyl-2-pyridinyl)-1,3,5-triazin-2-yl]morpholine

4-[4-(azepan-1-yl)-6-(4-ethenyl-2-pyridinyl)-1,3,5-triazin-2-yl]morpholine (PubChem CID 122592521) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 4-[4-(azepan-1-yl)-6-(4-ethenyl-2-pyridinyl)-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(azepan-1-yl)-6-(4-ethenyl-2-pyridinyl)-1,3,5-triazin-2-yl]morpholine
PubChem CID122592521
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name4-[4-(azepan-1-yl)-6-(4-ethenyl-2-pyridinyl)-1,3,5-triazin-2-yl]morpholine
SMILESC=Cc1ccnc(-c2nc(N3CCCCCC3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C20H26N6O/c1-2-16-7-8-21-17(15-16)18-22-19(25-9-5-3-4-6-10-25)24-20(23-18)26-11-13-27-14-12-26/h2,7-8,15H,1,3-6,9-14H2
InChIKeyPTMWXHWWSJPCMR-UHFFFAOYSA-N
XLogP2.79
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyridin-4-amine
CID 122592589
4-[4-(4-fluoro-2-pyridinyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
CID 58507943
4-[4-morpholin-4-yl-6-(6-piperidin-1-yl-2-pyridinyl)-1,3,5-triazin-2-yl]morpholine
CID 58508085
4-(2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 112884623
4-[4-piperidin-1-yl-6-(6-prop-2-enoxypyridazin-3-yl)oxy-1,3,5-triazin-2-yl]morpholine
CID 27396221
4-[4-(2-cyclopentyloxypyrimidin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
CID 58508214
4-[4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine;4-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)morpholine
CID 45133473
4-(2-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine
CID 67897493
4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80764187
4-[4-(azepan-1-yl)-6-(2,4-dimethylpyrimidin-5-yl)-1,3,5-triazin-2-yl]morpholine
CID 122592543
4-[4-(azepan-1-yl)-6-[6-(4-methylpyrazol-1-yl)-2-pyridinyl]-1,3,5-triazin-2-yl]morpholine
CID 122592571
4-(azepan-1-yl)-6-morpholin-4-yl-N,N-diphenyl-1,3,5-triazin-2-amine
CID 3927094

Frequently Asked Questions

What is the IUPAC name of 4-[4-(azepan-1-yl)-6-(4-ethenyl-2-pyridinyl)-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-(azepan-1-yl)-6-(4-ethenyl-2-pyridinyl)-1,3,5-triazin-2-yl]morpholine (CID 122592521) is 4-[4-(azepan-1-yl)-6-(4-ethenyl-2-pyridinyl)-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(azepan-1-yl)-6-(4-ethenyl-2-pyridinyl)-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-(azepan-1-yl)-6-(4-ethenyl-2-pyridinyl)-1,3,5-triazin-2-yl]morpholine is C=Cc1ccnc(-c2nc(N3CCCCCC3)nc(N3CCOCC3)n2)c1.
What is the InChIKey of 4-[4-(azepan-1-yl)-6-(4-ethenyl-2-pyridinyl)-1,3,5-triazin-2-yl]morpholine?
The InChIKey is PTMWXHWWSJPCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-2-16-7-8-21-17(15-16)18-22-19(25-9-5-3-4-6-10-25)24-20(23-18)26-11-13-27-14-12-26/h2,7-8,15H,1,3-6,9-14H2.
What are the key properties of 4-[4-(azepan-1-yl)-6-(4-ethenyl-2-pyridinyl)-1,3,5-triazin-2-yl]morpholine?
4-[4-(azepan-1-yl)-6-(4-ethenyl-2-pyridinyl)-1,3,5-triazin-2-yl]morpholine has a molecular weight of 366.47 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(azepan-1-yl)-6-(4-ethenyl-2-pyridinyl)-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 122592521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).