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

C12H16N4O2S — CID 80873586

IUPAC4-propoxy-6-(2-thiophen-2-ylethoxy)-1,3,5-triazin-2-amine
SMILESCCCOc1nc(N)nc(OCCc2cccs2)n1
InChIInChI=1S/C12H16N4O2S/c1-2-6-17-11-14-10(13)15-12(16-11)18-7-5-9-4-3-8-19-9/h3-4,8H,2,5-7H2,1H3,(H2,13,14,15,16)
InChIKeyKSOGRVTWNPPFGJ-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.93
Rot. Bonds7

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

4-propoxy-6-(2-thiophen-2-ylethoxy)-1,3,5-triazin-2-amine (PubChem CID 80873586) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 4-propoxy-6-(2-thiophen-2-ylethoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-propoxy-6-(2-thiophen-2-ylethoxy)-1,3,5-triazin-2-amine
PubChem CID80873586
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name4-propoxy-6-(2-thiophen-2-ylethoxy)-1,3,5-triazin-2-amine
SMILESCCCOc1nc(N)nc(OCCc2cccs2)n1
InChIInChI=1S/C12H16N4O2S/c1-2-6-17-11-14-10(13)15-12(16-11)18-7-5-9-4-3-8-19-9/h3-4,8H,2,5-7H2,1H3,(H2,13,14,15,16)
InChIKeyKSOGRVTWNPPFGJ-UHFFFAOYSA-N
XLogP1.93
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-propoxy-6-(2-thiophen-2-ylethoxy)-1,3,5-triazin-2-amine with MolForge

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Related Compounds

2-N-methyl-6-propoxy-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80849343
4-propoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80887884
4-ethoxy-N-methyl-6-(2-thiophen-2-ylethoxy)-1,3,5-triazin-2-amine
CID 80873581
4-hydrazinyl-6-propoxy-N-(2-thiophen-2-ylethyl)-1,3,5-triazin-2-amine
CID 80943280
N-ethyl-4-methoxy-6-(2-thiophen-2-ylethoxy)-1,3,5-triazin-2-amine
CID 80873852
2-propyl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine
CID 80949925
4-(2-thiophen-2-ylethoxy)quinazolin-2-amine
CID 80872836
2-N,2-N-dimethyl-6-(thiophen-2-ylmethoxy)-1,3,5-triazine-2,4-diamine
CID 80872117
4-(1-phenylethoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80859517
4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80858156
tripropoxy(3-thiophen-2-ylpropyl)silane
CID 141094365
4-but-3-ynoxy-6-propoxy-1,3,5-triazin-2-amine
CID 106795654

Frequently Asked Questions

What is the IUPAC name of 4-propoxy-6-(2-thiophen-2-ylethoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-propoxy-6-(2-thiophen-2-ylethoxy)-1,3,5-triazin-2-amine (CID 80873586) is 4-propoxy-6-(2-thiophen-2-ylethoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-propoxy-6-(2-thiophen-2-ylethoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-propoxy-6-(2-thiophen-2-ylethoxy)-1,3,5-triazin-2-amine is CCCOc1nc(N)nc(OCCc2cccs2)n1.
What is the InChIKey of 4-propoxy-6-(2-thiophen-2-ylethoxy)-1,3,5-triazin-2-amine?
The InChIKey is KSOGRVTWNPPFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-2-6-17-11-14-10(13)15-12(16-11)18-7-5-9-4-3-8-19-9/h3-4,8H,2,5-7H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-propoxy-6-(2-thiophen-2-ylethoxy)-1,3,5-triazin-2-amine?
4-propoxy-6-(2-thiophen-2-ylethoxy)-1,3,5-triazin-2-amine has a molecular weight of 280.35 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxy-6-(2-thiophen-2-ylethoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80873586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).