4-hexoxy-6-methyl-1,3,5-triazin-2-amine

C10H18N4O — CID 175634877

IUPAC4-hexoxy-6-methyl-1,3,5-triazin-2-amine
SMILESCCCCCCOc1nc(C)nc(N)n1
InChIInChI=1S/C10H18N4O/c1-3-4-5-6-7-15-10-13-8(2)12-9(11)14-10/h3-7H2,1-2H3,(H2,11,12,13,14)
InChIKeyRKCYGSKUSHGFOQ-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.72
Rot. Bonds6

About 4-hexoxy-6-methyl-1,3,5-triazin-2-amine

4-hexoxy-6-methyl-1,3,5-triazin-2-amine (PubChem CID 175634877) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-hexoxy-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-hexoxy-6-methyl-1,3,5-triazin-2-amine
PubChem CID175634877
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name4-hexoxy-6-methyl-1,3,5-triazin-2-amine
SMILESCCCCCCOc1nc(C)nc(N)n1
InChIInChI=1S/C10H18N4O/c1-3-4-5-6-7-15-10-13-8(2)12-9(11)14-10/h3-7H2,1-2H3,(H2,11,12,13,14)
InChIKeyRKCYGSKUSHGFOQ-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
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-hexoxy-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-hexoxy-6-methyl-1,3,5-triazin-2-amine (CID 175634877) is 4-hexoxy-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-hexoxy-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-hexoxy-6-methyl-1,3,5-triazin-2-amine is CCCCCCOc1nc(C)nc(N)n1.
What is the InChIKey of 4-hexoxy-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is RKCYGSKUSHGFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-3-4-5-6-7-15-10-13-8(2)12-9(11)14-10/h3-7H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 4-hexoxy-6-methyl-1,3,5-triazin-2-amine?
4-hexoxy-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 210.28 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxy-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 175634877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).