2-N,2-N-dimethyl-4-N-(oxan-4-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine

C13H24N6O — CID 80788770

IUPAC2-N,2-N-dimethyl-4-N-(oxan-4-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCNc1nc(NC2CCOCC2)nc(N(C)C)n1
InChIInChI=1S/C13H24N6O/c1-4-7-14-11-16-12(18-13(17-11)19(2)3)15-10-5-8-20-9-6-10/h10H,4-9H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyQXLQRRVPZLWLEZ-UHFFFAOYSA-N
MW280.38 g/mol
LogP1.35
Rot. Bonds6

About 2-N,2-N-dimethyl-4-N-(oxan-4-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine

2-N,2-N-dimethyl-4-N-(oxan-4-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 80788770) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-4-N-(oxan-4-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-4-N-(oxan-4-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine
PubChem CID80788770
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC Name2-N,2-N-dimethyl-4-N-(oxan-4-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCNc1nc(NC2CCOCC2)nc(N(C)C)n1
InChIInChI=1S/C13H24N6O/c1-4-7-14-11-16-12(18-13(17-11)19(2)3)15-10-5-8-20-9-6-10/h10H,4-9H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyQXLQRRVPZLWLEZ-UHFFFAOYSA-N
XLogP1.35
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N,2-N-dimethyl-4-N-(oxan-4-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-4-N-(oxan-4-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N-dimethyl-4-N-(oxan-4-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine (CID 80788770) is 2-N,2-N-dimethyl-4-N-(oxan-4-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N-dimethyl-4-N-(oxan-4-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N-dimethyl-4-N-(oxan-4-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine is CCCNc1nc(NC2CCOCC2)nc(N(C)C)n1.
What is the InChIKey of 2-N,2-N-dimethyl-4-N-(oxan-4-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is QXLQRRVPZLWLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c1-4-7-14-11-16-12(18-13(17-11)19(2)3)15-10-5-8-20-9-6-10/h10H,4-9H2,1-3H3,(H2,14,15,16,17,18).
What are the key properties of 2-N,2-N-dimethyl-4-N-(oxan-4-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine?
2-N,2-N-dimethyl-4-N-(oxan-4-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 280.38 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-4-N-(oxan-4-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80788770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).