2-N-methyl-6-propoxy-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine

C13H19N5OS — CID 80849343

IUPAC2-N-methyl-6-propoxy-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(N(C)CCc2cccs2)n1
InChIInChI=1S/C13H19N5OS/c1-3-8-19-13-16-11(14)15-12(17-13)18(2)7-6-10-5-4-9-20-10/h4-5,9H,3,6-8H2,1-2H3,(H2,14,15,16,17)
InChIKeyGZSPCNLXZYWSFS-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.98
Rot. Bonds7

About 2-N-methyl-6-propoxy-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine

2-N-methyl-6-propoxy-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80849343) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 2-N-methyl-6-propoxy-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-6-propoxy-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
PubChem CID80849343
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name2-N-methyl-6-propoxy-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(N(C)CCc2cccs2)n1
InChIInChI=1S/C13H19N5OS/c1-3-8-19-13-16-11(14)15-12(17-13)18(2)7-6-10-5-4-9-20-10/h4-5,9H,3,6-8H2,1-2H3,(H2,14,15,16,17)
InChIKeyGZSPCNLXZYWSFS-UHFFFAOYSA-N
XLogP1.98
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-N-methyl-6-propoxy-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

4-propoxy-6-(2-thiophen-2-ylethoxy)-1,3,5-triazin-2-amine
CID 80873586
2-N-(2-methoxyethyl)-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80795309
2-N,2-N-dimethyl-6-(thiophen-2-ylmethoxy)-1,3,5-triazine-2,4-diamine
CID 80872117
6-ethoxy-4-N-ethyl-2-N-methyl-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80837827
6-ethoxy-2-N-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80776108
6-propoxy-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80763865
4-propoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80887884
2-N-[2-(cyclopropylmethoxy)ethyl]-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80852394
2-N-[2-[4-[[4-amino-6-[methyl(2-thiophen-2-ylethyl)amino]-1,3,5-triazin-2-yl]amino]thiophen-2-yl]ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 146588690
2-N,4-N-dimethyl-6-propan-2-yloxy-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80836580
4-hydrazinyl-6-propoxy-N-(2-thiophen-2-ylethyl)-1,3,5-triazin-2-amine
CID 80943280
6-N-methyl-6-N-(2-thiophen-2-ylethyl)pyridine-2,6-diamine
CID 80652044

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-6-propoxy-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-methyl-6-propoxy-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine (CID 80849343) is 2-N-methyl-6-propoxy-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-6-propoxy-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-methyl-6-propoxy-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine is CCCOc1nc(N)nc(N(C)CCc2cccs2)n1.
What is the InChIKey of 2-N-methyl-6-propoxy-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is GZSPCNLXZYWSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-3-8-19-13-16-11(14)15-12(17-13)18(2)7-6-10-5-4-9-20-10/h4-5,9H,3,6-8H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-N-methyl-6-propoxy-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine?
2-N-methyl-6-propoxy-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 293.40 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-6-propoxy-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80849343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).