4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine

C13H22N6O — CID 80764187

IUPAC4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESNc1nc(N2CCCCCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H22N6O/c14-11-15-12(18-5-3-1-2-4-6-18)17-13(16-11)19-7-9-20-10-8-19/h1-10H2,(H2,14,15,16,17)
InChIKeyJTZXQJSYFDPMCW-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.67
Rot. Bonds2

About 4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine

4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 80764187) has the molecular formula C13H22N6O and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID80764187
Molecular FormulaC13H22N6O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC Name4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESNc1nc(N2CCCCCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H22N6O/c14-11-15-12(18-5-3-1-2-4-6-18)17-13(16-11)19-7-9-20-10-8-19/h1-10H2,(H2,14,15,16,17)
InChIKeyJTZXQJSYFDPMCW-UHFFFAOYSA-N
XLogP0.67
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-methyl-1,4-diazepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80750111
2-N-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 83027145
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-(3-methylmorpholin-4-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80782138
4-(2-methylmorpholin-4-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80763914
2-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80770087
4-N,4-N-dimethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 27396187
4-(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione
CID 80832674
2-N-(oxan-4-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80789723
2,4,6-tri(piperidin-1-yl)-1,3,5-triazine
CID 2827031
4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-amine
CID 63868604
4-cyclohexyloxy-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80858635

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 80764187) is 4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine is Nc1nc(N2CCCCCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is JTZXQJSYFDPMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O/c14-11-15-12(18-5-3-1-2-4-6-18)17-13(16-11)19-7-9-20-10-8-19/h1-10H2,(H2,14,15,16,17).
What are the key properties of 4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 278.36 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80764187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).