4,6-dimethoxy-N-(4-methylpentan-2-yl)-1,3,5-triazin-2-amine

C11H20N4O2 — CID 55134737

IUPAC4,6-dimethoxy-N-(4-methylpentan-2-yl)-1,3,5-triazin-2-amine
SMILESCOc1nc(NC(C)CC(C)C)nc(OC)n1
InChIInChI=1S/C11H20N4O2/c1-7(2)6-8(3)12-9-13-10(16-4)15-11(14-9)17-5/h7-8H,6H2,1-5H3,(H,12,13,14,15)
InChIKeyNWTPVQXOQPSMFA-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.74
Rot. Bonds6

About 4,6-dimethoxy-N-(4-methylpentan-2-yl)-1,3,5-triazin-2-amine

4,6-dimethoxy-N-(4-methylpentan-2-yl)-1,3,5-triazin-2-amine (PubChem CID 55134737) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4,6-dimethoxy-N-(4-methylpentan-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N-(4-methylpentan-2-yl)-1,3,5-triazin-2-amine
PubChem CID55134737
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name4,6-dimethoxy-N-(4-methylpentan-2-yl)-1,3,5-triazin-2-amine
SMILESCOc1nc(NC(C)CC(C)C)nc(OC)n1
InChIInChI=1S/C11H20N4O2/c1-7(2)6-8(3)12-9-13-10(16-4)15-11(14-9)17-5/h7-8H,6H2,1-5H3,(H,12,13,14,15)
InChIKeyNWTPVQXOQPSMFA-UHFFFAOYSA-N
XLogP1.74
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-(4-methylpentan-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dimethoxy-N-(4-methylpentan-2-yl)-1,3,5-triazin-2-amine (CID 55134737) is 4,6-dimethoxy-N-(4-methylpentan-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N-(4-methylpentan-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dimethoxy-N-(4-methylpentan-2-yl)-1,3,5-triazin-2-amine is COc1nc(NC(C)CC(C)C)nc(OC)n1.
What is the InChIKey of 4,6-dimethoxy-N-(4-methylpentan-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is NWTPVQXOQPSMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-7(2)6-8(3)12-9-13-10(16-4)15-11(14-9)17-5/h7-8H,6H2,1-5H3,(H,12,13,14,15).
What are the key properties of 4,6-dimethoxy-N-(4-methylpentan-2-yl)-1,3,5-triazin-2-amine?
4,6-dimethoxy-N-(4-methylpentan-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 240.31 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-(4-methylpentan-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 55134737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).