4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-amine

C11H20N4O2 — CID 80858156

IUPAC4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(N)nc(OCCC(C)C)n1
InChIInChI=1S/C11H20N4O2/c1-4-6-16-10-13-9(12)14-11(15-10)17-7-5-8(2)3/h8H,4-7H2,1-3H3,(H2,12,13,14,15)
InChIKeyLYUPPZUAZGPFNX-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.67
Rot. Bonds7

About 4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-amine

4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 80858156) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-amine
PubChem CID80858156
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(N)nc(OCCC(C)C)n1
InChIInChI=1S/C11H20N4O2/c1-4-6-16-10-13-9(12)14-11(15-10)17-7-5-8(2)3/h8H,4-7H2,1-3H3,(H2,12,13,14,15)
InChIKeyLYUPPZUAZGPFNX-UHFFFAOYSA-N
XLogP1.67
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80909820
4-[2-(2-methylpropoxy)ethoxy]-6-propoxy-1,3,5-triazin-2-amine
CID 106451498
2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80839472
4-but-3-ynoxy-6-propoxy-1,3,5-triazin-2-amine
CID 106795654
4-(3-methylbutan-2-ylsulfanyl)-6-propoxy-1,3,5-triazin-2-amine
CID 107765495
4-(1-phenylethoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80859517
2-N-butan-2-yl-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80775578
[4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80910606
2-N-ethyl-2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80850266
4-cyclobutyloxy-6-propoxy-1,3,5-triazin-2-amine
CID 80872035
2-N-octan-2-yl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80800093
2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80833385

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-amine (CID 80858156) is 4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(N)nc(OCCC(C)C)n1.
What is the InChIKey of 4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is LYUPPZUAZGPFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-4-6-16-10-13-9(12)14-11(15-10)17-7-5-8(2)3/h8H,4-7H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-amine?
4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 240.31 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80858156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).