2-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-ethoxy-1,3,5-triazine-2,4-diamine

C13H19N5OS — CID 80801788

IUPAC2-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-ethoxy-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(NC(C)c2cc(C)sc2C)n1
InChIInChI=1S/C13H19N5OS/c1-5-19-13-17-11(14)16-12(18-13)15-8(3)10-6-7(2)20-9(10)4/h6,8H,5H2,1-4H3,(H3,14,15,16,17,18)
InChIKeyBIWYALQGFVJQCX-UHFFFAOYSA-N
MW293.40 g/mol
LogP2.70
Rot. Bonds5

About 2-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-ethoxy-1,3,5-triazine-2,4-diamine

2-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-ethoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80801788) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 2-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-ethoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-ethoxy-1,3,5-triazine-2,4-diamine
PubChem CID80801788
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name2-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-ethoxy-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(NC(C)c2cc(C)sc2C)n1
InChIInChI=1S/C13H19N5OS/c1-5-19-13-17-11(14)16-12(18-13)15-8(3)10-6-7(2)20-9(10)4/h6,8H,5H2,1-4H3,(H3,14,15,16,17,18)
InChIKeyBIWYALQGFVJQCX-UHFFFAOYSA-N
XLogP2.70
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-ethoxy-2-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80780976
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4,6-dimethoxypyrimidin-2-amine
CID 115355042
4-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112726778
2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80778446
2-N-[1-(2-methylphenyl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80783677
6-ethoxy-2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80822860
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-ethoxypyrimidin-4-amine
CID 66328796
6-ethoxy-2-N-octan-2-yl-1,3,5-triazine-2,4-diamine
CID 80801244
2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 106390397
4-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-ethoxy-1,3,5-triazin-2-amine
CID 62859055
2-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80803905
6-ethoxy-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80832748

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-ethoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-ethoxy-1,3,5-triazine-2,4-diamine (CID 80801788) is 2-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-ethoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-ethoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-ethoxy-1,3,5-triazine-2,4-diamine is CCOc1nc(N)nc(NC(C)c2cc(C)sc2C)n1.
What is the InChIKey of 2-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-ethoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is BIWYALQGFVJQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-5-19-13-17-11(14)16-12(18-13)15-8(3)10-6-7(2)20-9(10)4/h6,8H,5H2,1-4H3,(H3,14,15,16,17,18).
What are the key properties of 2-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-ethoxy-1,3,5-triazine-2,4-diamine?
2-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-ethoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 293.40 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-ethoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80801788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).