4-methyl-6-(propoxymethyl)-1,3,5-triazin-2-amine

C8H14N4O — CID 63867427

IUPAC4-methyl-6-(propoxymethyl)-1,3,5-triazin-2-amine
SMILESCCCOCc1nc(C)nc(N)n1
InChIInChI=1S/C8H14N4O/c1-3-4-13-5-7-10-6(2)11-8(9)12-7/h3-5H2,1-2H3,(H2,9,10,11,12)
InChIKeyBSELCJZJYTZUDY-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.69
Rot. Bonds4

About 4-methyl-6-(propoxymethyl)-1,3,5-triazin-2-amine

4-methyl-6-(propoxymethyl)-1,3,5-triazin-2-amine (PubChem CID 63867427) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 4-methyl-6-(propoxymethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methyl-6-(propoxymethyl)-1,3,5-triazin-2-amine
PubChem CID63867427
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name4-methyl-6-(propoxymethyl)-1,3,5-triazin-2-amine
SMILESCCCOCc1nc(C)nc(N)n1
InChIInChI=1S/C8H14N4O/c1-3-4-13-5-7-10-6(2)11-8(9)12-7/h3-5H2,1-2H3,(H2,9,10,11,12)
InChIKeyBSELCJZJYTZUDY-UHFFFAOYSA-N
XLogP0.69
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(propoxymethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-methyl-6-(propoxymethyl)-1,3,5-triazin-2-amine (CID 63867427) is 4-methyl-6-(propoxymethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methyl-6-(propoxymethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methyl-6-(propoxymethyl)-1,3,5-triazin-2-amine is CCCOCc1nc(C)nc(N)n1.
What is the InChIKey of 4-methyl-6-(propoxymethyl)-1,3,5-triazin-2-amine?
The InChIKey is BSELCJZJYTZUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-3-4-13-5-7-10-6(2)11-8(9)12-7/h3-5H2,1-2H3,(H2,9,10,11,12).
What are the key properties of 4-methyl-6-(propoxymethyl)-1,3,5-triazin-2-amine?
4-methyl-6-(propoxymethyl)-1,3,5-triazin-2-amine has a molecular weight of 182.23 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(propoxymethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 63867427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).