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

C17H30N6O2 — CID 6611375

IUPAC4-(azepan-1-yl)-6-methoxy-N-(3-morpholin-4-ylpropyl)-1,3,5-triazin-2-amine
SMILESCOc1nc(NCCCN2CCOCC2)nc(N2CCCCCC2)n1
InChIInChI=1S/C17H30N6O2/c1-24-17-20-15(18-7-6-8-22-11-13-25-14-12-22)19-16(21-17)23-9-4-2-3-5-10-23/h2-14H2,1H3,(H,18,19,20,21)
InChIKeyPDKYCRNLZDRGGX-UHFFFAOYSA-N
MW350.47 g/mol
LogP1.39
Rot. Bonds7

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

4-(azepan-1-yl)-6-methoxy-N-(3-morpholin-4-ylpropyl)-1,3,5-triazin-2-amine (PubChem CID 6611375) has the molecular formula C17H30N6O2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 4-(azepan-1-yl)-6-methoxy-N-(3-morpholin-4-ylpropyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(azepan-1-yl)-6-methoxy-N-(3-morpholin-4-ylpropyl)-1,3,5-triazin-2-amine
PubChem CID6611375
Molecular FormulaC17H30N6O2
Molecular Weight350.47 g/mol
Exact Mass350.24
IUPAC Name4-(azepan-1-yl)-6-methoxy-N-(3-morpholin-4-ylpropyl)-1,3,5-triazin-2-amine
SMILESCOc1nc(NCCCN2CCOCC2)nc(N2CCCCCC2)n1
InChIInChI=1S/C17H30N6O2/c1-24-17-20-15(18-7-6-8-22-11-13-25-14-12-22)19-16(21-17)23-9-4-2-3-5-10-23/h2-14H2,1H3,(H,18,19,20,21)
InChIKeyPDKYCRNLZDRGGX-UHFFFAOYSA-N
XLogP1.39
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-6-methoxy-N-(3-morpholin-4-ylpropyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(azepan-1-yl)-6-methoxy-N-(3-morpholin-4-ylpropyl)-1,3,5-triazin-2-amine (CID 6611375) is 4-(azepan-1-yl)-6-methoxy-N-(3-morpholin-4-ylpropyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(azepan-1-yl)-6-methoxy-N-(3-morpholin-4-ylpropyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(azepan-1-yl)-6-methoxy-N-(3-morpholin-4-ylpropyl)-1,3,5-triazin-2-amine is COc1nc(NCCCN2CCOCC2)nc(N2CCCCCC2)n1.
What is the InChIKey of 4-(azepan-1-yl)-6-methoxy-N-(3-morpholin-4-ylpropyl)-1,3,5-triazin-2-amine?
The InChIKey is PDKYCRNLZDRGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O2/c1-24-17-20-15(18-7-6-8-22-11-13-25-14-12-22)19-16(21-17)23-9-4-2-3-5-10-23/h2-14H2,1H3,(H,18,19,20,21).
What are the key properties of 4-(azepan-1-yl)-6-methoxy-N-(3-morpholin-4-ylpropyl)-1,3,5-triazin-2-amine?
4-(azepan-1-yl)-6-methoxy-N-(3-morpholin-4-ylpropyl)-1,3,5-triazin-2-amine has a molecular weight of 350.47 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-6-methoxy-N-(3-morpholin-4-ylpropyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 6611375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).