2-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-methylbutane-1,2-diamine

C10H19N5O2 — CID 65192396

IUPAC2-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-methylbutane-1,2-diamine
SMILESCOc1nc(NC(CN)C(C)C)nc(OC)n1
InChIInChI=1S/C10H19N5O2/c1-6(2)7(5-11)12-8-13-9(16-3)15-10(14-8)17-4/h6-7H,5,11H2,1-4H3,(H,12,13,14,15)
InChIKeyBUOIBFYOKBGTLT-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.28
Rot. Bonds6

About 2-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-methylbutane-1,2-diamine

2-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-methylbutane-1,2-diamine (PubChem CID 65192396) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-methylbutane-1,2-diamine
PubChem CID65192396
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC Name2-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-methylbutane-1,2-diamine
SMILESCOc1nc(NC(CN)C(C)C)nc(OC)n1
InChIInChI=1S/C10H19N5O2/c1-6(2)7(5-11)12-8-13-9(16-3)15-10(14-8)17-4/h6-7H,5,11H2,1-4H3,(H,12,13,14,15)
InChIKeyBUOIBFYOKBGTLT-UHFFFAOYSA-N
XLogP0.28
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-methylbutane-1,2-diamine?
The IUPAC name of 2-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-methylbutane-1,2-diamine (CID 65192396) is 2-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-methylbutane-1,2-diamine is COc1nc(NC(CN)C(C)C)nc(OC)n1.
What is the InChIKey of 2-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-methylbutane-1,2-diamine?
The InChIKey is BUOIBFYOKBGTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-6(2)7(5-11)12-8-13-9(16-3)15-10(14-8)17-4/h6-7H,5,11H2,1-4H3,(H,12,13,14,15).
What are the key properties of 2-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-methylbutane-1,2-diamine?
2-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-methylbutane-1,2-diamine has a molecular weight of 241.29 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-methylbutane-1,2-diamine is sourced from PubChem (CID 65192396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).