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

C11H20N4O2 — CID 55135886

IUPAC4,6-dimethoxy-N-(2-methylpentan-3-yl)-1,3,5-triazin-2-amine
SMILESCCC(Nc1nc(OC)nc(OC)n1)C(C)C
InChIInChI=1S/C11H20N4O2/c1-6-8(7(2)3)12-9-13-10(16-4)15-11(14-9)17-5/h7-8H,6H2,1-5H3,(H,12,13,14,15)
InChIKeyUPMLZGSZZDSBSN-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.74
Rot. Bonds6

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

4,6-dimethoxy-N-(2-methylpentan-3-yl)-1,3,5-triazin-2-amine (PubChem CID 55135886) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4,6-dimethoxy-N-(2-methylpentan-3-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N-(2-methylpentan-3-yl)-1,3,5-triazin-2-amine
PubChem CID55135886
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name4,6-dimethoxy-N-(2-methylpentan-3-yl)-1,3,5-triazin-2-amine
SMILESCCC(Nc1nc(OC)nc(OC)n1)C(C)C
InChIInChI=1S/C11H20N4O2/c1-6-8(7(2)3)12-9-13-10(16-4)15-11(14-9)17-5/h7-8H,6H2,1-5H3,(H,12,13,14,15)
InChIKeyUPMLZGSZZDSBSN-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-(2-methylpentan-3-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dimethoxy-N-(2-methylpentan-3-yl)-1,3,5-triazin-2-amine (CID 55135886) is 4,6-dimethoxy-N-(2-methylpentan-3-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N-(2-methylpentan-3-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dimethoxy-N-(2-methylpentan-3-yl)-1,3,5-triazin-2-amine is CCC(Nc1nc(OC)nc(OC)n1)C(C)C.
What is the InChIKey of 4,6-dimethoxy-N-(2-methylpentan-3-yl)-1,3,5-triazin-2-amine?
The InChIKey is UPMLZGSZZDSBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-6-8(7(2)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-(2-methylpentan-3-yl)-1,3,5-triazin-2-amine?
4,6-dimethoxy-N-(2-methylpentan-3-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-(2-methylpentan-3-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 55135886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).