4-N-[(5-ethylthiophen-2-yl)methyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine

C13H20N6S — CID 106015228

IUPAC4-N-[(5-ethylthiophen-2-yl)methyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCc1ccc(CNc2nc(NC)nc(N(C)C)n2)s1
InChIInChI=1S/C13H20N6S/c1-5-9-6-7-10(20-9)8-15-12-16-11(14-2)17-13(18-12)19(3)4/h6-7H,5,8H2,1-4H3,(H2,14,15,16,17,18)
InChIKeyLBFOHVFQEQOWSK-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.22
Rot. Bonds6

About 4-N-[(5-ethylthiophen-2-yl)methyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine

4-N-[(5-ethylthiophen-2-yl)methyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 106015228) has the molecular formula C13H20N6S and a molecular weight of 292.41 g/mol. Its IUPAC name is 4-N-[(5-ethylthiophen-2-yl)methyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[(5-ethylthiophen-2-yl)methyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID106015228
Molecular FormulaC13H20N6S
Molecular Weight292.41 g/mol
Exact Mass292.15
IUPAC Name4-N-[(5-ethylthiophen-2-yl)methyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCc1ccc(CNc2nc(NC)nc(N(C)C)n2)s1
InChIInChI=1S/C13H20N6S/c1-5-9-6-7-10(20-9)8-15-12-16-11(14-2)17-13(18-12)19(3)4/h6-7H,5,8H2,1-4H3,(H2,14,15,16,17,18)
InChIKeyLBFOHVFQEQOWSK-UHFFFAOYSA-N
XLogP2.22
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-ethylthiophen-2-yl)methyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-[(5-ethylthiophen-2-yl)methyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine (CID 106015228) is 4-N-[(5-ethylthiophen-2-yl)methyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-[(5-ethylthiophen-2-yl)methyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-[(5-ethylthiophen-2-yl)methyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine is CCc1ccc(CNc2nc(NC)nc(N(C)C)n2)s1.
What is the InChIKey of 4-N-[(5-ethylthiophen-2-yl)methyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is LBFOHVFQEQOWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6S/c1-5-9-6-7-10(20-9)8-15-12-16-11(14-2)17-13(18-12)19(3)4/h6-7H,5,8H2,1-4H3,(H2,14,15,16,17,18).
What are the key properties of 4-N-[(5-ethylthiophen-2-yl)methyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
4-N-[(5-ethylthiophen-2-yl)methyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 292.41 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5-ethylthiophen-2-yl)methyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 106015228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).