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

C10H18N4O — CID 63868465

IUPAC4-(propoxymethyl)-6-propyl-1,3,5-triazin-2-amine
SMILESCCCOCc1nc(N)nc(CCC)n1
InChIInChI=1S/C10H18N4O/c1-3-5-8-12-9(7-15-6-4-2)14-10(11)13-8/h3-7H2,1-2H3,(H2,11,12,13,14)
InChIKeyREVYRUUOZUZULU-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.33
Rot. Bonds6

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

4-(propoxymethyl)-6-propyl-1,3,5-triazin-2-amine (PubChem CID 63868465) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-(propoxymethyl)-6-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(propoxymethyl)-6-propyl-1,3,5-triazin-2-amine
PubChem CID63868465
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name4-(propoxymethyl)-6-propyl-1,3,5-triazin-2-amine
SMILESCCCOCc1nc(N)nc(CCC)n1
InChIInChI=1S/C10H18N4O/c1-3-5-8-12-9(7-15-6-4-2)14-10(11)13-8/h3-7H2,1-2H3,(H2,11,12,13,14)
InChIKeyREVYRUUOZUZULU-UHFFFAOYSA-N
XLogP1.33
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.33
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-(propoxymethyl)-6-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(propoxymethyl)-6-propyl-1,3,5-triazin-2-amine (CID 63868465) is 4-(propoxymethyl)-6-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(propoxymethyl)-6-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(propoxymethyl)-6-propyl-1,3,5-triazin-2-amine is CCCOCc1nc(N)nc(CCC)n1.
What is the InChIKey of 4-(propoxymethyl)-6-propyl-1,3,5-triazin-2-amine?
The InChIKey is REVYRUUOZUZULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-3-5-8-12-9(7-15-6-4-2)14-10(11)13-8/h3-7H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 4-(propoxymethyl)-6-propyl-1,3,5-triazin-2-amine?
4-(propoxymethyl)-6-propyl-1,3,5-triazin-2-amine has a molecular weight of 210.28 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propoxymethyl)-6-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 63868465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).