4-ethoxy-6-(2-methylfuran-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine

C13H18N4O2S — CID 107785153

IUPAC4-ethoxy-6-(2-methylfuran-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OCC)nc(Sc2ccoc2C)n1
InChIInChI=1S/C13H18N4O2S/c1-4-7-14-11-15-12(18-5-2)17-13(16-11)20-10-6-8-19-9(10)3/h6,8H,4-5,7H2,1-3H3,(H,14,15,16,17)
InChIKeyTXIQNJNTSJHWIF-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.14
Rot. Bonds7

About 4-ethoxy-6-(2-methylfuran-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine

4-ethoxy-6-(2-methylfuran-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine (PubChem CID 107785153) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 4-ethoxy-6-(2-methylfuran-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-(2-methylfuran-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine
PubChem CID107785153
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name4-ethoxy-6-(2-methylfuran-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OCC)nc(Sc2ccoc2C)n1
InChIInChI=1S/C13H18N4O2S/c1-4-7-14-11-15-12(18-5-2)17-13(16-11)20-10-6-8-19-9(10)3/h6,8H,4-5,7H2,1-3H3,(H,14,15,16,17)
InChIKeyTXIQNJNTSJHWIF-UHFFFAOYSA-N
XLogP3.14
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-6-(2-methylfuran-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine
CID 107785128
4-(2-chlorophenyl)sulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 80872051
4-ethoxy-6-(3-methylphenyl)sulfanyl-N-propyl-1,3,5-triazin-2-amine
CID 80883595
6-ethoxy-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80765702
5-chloro-4-(2-methylfuran-3-yl)sulfanyl-N-propylpyrimidin-2-amine
CID 114001357
4-(3-bromophenyl)sulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 80887365
4-(2-bromophenyl)sulfanyl-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 80888661
4-cyclopentylsulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 80888903
4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 62858534
4-ethoxy-6-(oxan-4-ylsulfanyl)-N-propyl-1,3,5-triazin-2-amine
CID 80889258
6-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]hexan-1-ol
CID 107855312
6-ethoxy-2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 115988830

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-(2-methylfuran-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-6-(2-methylfuran-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine (CID 107785153) is 4-ethoxy-6-(2-methylfuran-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-6-(2-methylfuran-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-6-(2-methylfuran-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine is CCCNc1nc(OCC)nc(Sc2ccoc2C)n1.
What is the InChIKey of 4-ethoxy-6-(2-methylfuran-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is TXIQNJNTSJHWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-4-7-14-11-15-12(18-5-2)17-13(16-11)20-10-6-8-19-9(10)3/h6,8H,4-5,7H2,1-3H3,(H,14,15,16,17).
What are the key properties of 4-ethoxy-6-(2-methylfuran-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine?
4-ethoxy-6-(2-methylfuran-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 294.38 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-(2-methylfuran-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 107785153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).