2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine

C13H22N6O — CID 80807429

IUPAC2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NC2CCN3CCCCC23)nc(OC)n1
InChIInChI=1S/C13H22N6O/c1-14-11-16-12(18-13(17-11)20-2)15-9-6-8-19-7-4-3-5-10(9)19/h9-10H,3-8H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyUFYSNBJIBORBSB-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.96
Rot. Bonds4

About 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine

2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 80807429) has the molecular formula C13H22N6O and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID80807429
Molecular FormulaC13H22N6O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC Name2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NC2CCN3CCCCC23)nc(OC)n1
InChIInChI=1S/C13H22N6O/c1-14-11-16-12(18-13(17-11)20-2)15-9-6-8-19-7-4-3-5-10(9)19/h9-10H,3-8H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyUFYSNBJIBORBSB-UHFFFAOYSA-N
XLogP0.96
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 80807429) is 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine is CNc1nc(NC2CCN3CCCCC23)nc(OC)n1.
What is the InChIKey of 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is UFYSNBJIBORBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O/c1-14-11-16-12(18-13(17-11)20-2)15-9-6-8-19-7-4-3-5-10(9)19/h9-10H,3-8H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 278.36 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80807429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).