4-but-3-ynoxy-6-propoxy-1,3,5-triazin-2-amine

C10H14N4O2 — CID 106795654

IUPAC4-but-3-ynoxy-6-propoxy-1,3,5-triazin-2-amine
SMILESC#CCCOc1nc(N)nc(OCCC)n1
InChIInChI=1S/C10H14N4O2/c1-3-5-7-16-10-13-8(11)12-9(14-10)15-6-4-2/h1H,4-7H2,2H3,(H2,11,12,13,14)
InChIKeyWNCVEXWGNUZSEW-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.64
Rot. Bonds6

About 4-but-3-ynoxy-6-propoxy-1,3,5-triazin-2-amine

4-but-3-ynoxy-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 106795654) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 4-but-3-ynoxy-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-but-3-ynoxy-6-propoxy-1,3,5-triazin-2-amine
PubChem CID106795654
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name4-but-3-ynoxy-6-propoxy-1,3,5-triazin-2-amine
SMILESC#CCCOc1nc(N)nc(OCCC)n1
InChIInChI=1S/C10H14N4O2/c1-3-5-7-16-10-13-8(11)12-9(14-10)15-6-4-2/h1H,4-7H2,2H3,(H2,11,12,13,14)
InChIKeyWNCVEXWGNUZSEW-UHFFFAOYSA-N
XLogP0.64
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80858156
(4-but-3-ynoxy-6-ethoxy-1,3,5-triazin-2-yl)hydrazine
CID 106795726
4-cyclobutyloxy-6-propoxy-1,3,5-triazin-2-amine
CID 80872035
4-[2-(2-methylpropoxy)ethoxy]-6-propoxy-1,3,5-triazin-2-amine
CID 106451498
6-propoxy-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80763865
4-(3,5-dimethylcyclohexyl)oxy-6-propoxy-1,3,5-triazin-2-amine
CID 80877748
4-propoxy-6-(2-thiophen-2-ylethoxy)-1,3,5-triazin-2-amine
CID 80873586
2-N-pentan-3-yl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80769885
4-(3-methylbutan-2-ylsulfanyl)-6-propoxy-1,3,5-triazin-2-amine
CID 107765495
4-ethoxy-6-(2-ethoxyethoxy)-1,3,5-triazin-2-amine
CID 80859204
4-(1-phenylethoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80859517
2-N-(2-methoxyethyl)-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80795309

Frequently Asked Questions

What is the IUPAC name of 4-but-3-ynoxy-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-but-3-ynoxy-6-propoxy-1,3,5-triazin-2-amine (CID 106795654) is 4-but-3-ynoxy-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-but-3-ynoxy-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-but-3-ynoxy-6-propoxy-1,3,5-triazin-2-amine is C#CCCOc1nc(N)nc(OCCC)n1.
What is the InChIKey of 4-but-3-ynoxy-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is WNCVEXWGNUZSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-3-5-7-16-10-13-8(11)12-9(14-10)15-6-4-2/h1H,4-7H2,2H3,(H2,11,12,13,14).
What are the key properties of 4-but-3-ynoxy-6-propoxy-1,3,5-triazin-2-amine?
4-but-3-ynoxy-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 222.25 g/mol, XLogP of 0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-ynoxy-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 106795654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).