2-N,2-N,6-N,4-tetramethyl-6-N-[2-(2-methylthiophen-3-yl)ethyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine

C14H23N5S — CID 130258012

IUPAC2-N,2-N,6-N,4-tetramethyl-6-N-[2-(2-methylthiophen-3-yl)ethyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine
SMILESCc1sccc1CCN(C)C1=NC(C)N=C(N(C)C)N1
InChIInChI=1S/C14H23N5S/c1-10-12(7-9-20-10)6-8-19(5)14-16-11(2)15-13(17-14)18(3)4/h7,9,11H,6,8H2,1-5H3,(H,15,16,17)
InChIKeyKXNMYYFBPDFQMF-UHFFFAOYSA-N
MW293.44 g/mol
LogP1.75
Rot. Bonds3

About 2-N,2-N,6-N,4-tetramethyl-6-N-[2-(2-methylthiophen-3-yl)ethyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine

2-N,2-N,6-N,4-tetramethyl-6-N-[2-(2-methylthiophen-3-yl)ethyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine (PubChem CID 130258012) has the molecular formula C14H23N5S and a molecular weight of 293.44 g/mol. Its IUPAC name is 2-N,2-N,6-N,4-tetramethyl-6-N-[2-(2-methylthiophen-3-yl)ethyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine.

Molecular Properties

Compound Name2-N,2-N,6-N,4-tetramethyl-6-N-[2-(2-methylthiophen-3-yl)ethyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine
PubChem CID130258012
Molecular FormulaC14H23N5S
Molecular Weight293.44 g/mol
Exact Mass293.17
IUPAC Name2-N,2-N,6-N,4-tetramethyl-6-N-[2-(2-methylthiophen-3-yl)ethyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine
SMILESCc1sccc1CCN(C)C1=NC(C)N=C(N(C)C)N1
InChIInChI=1S/C14H23N5S/c1-10-12(7-9-20-10)6-8-19(5)14-16-11(2)15-13(17-14)18(3)4/h7,9,11H,6,8H2,1-5H3,(H,15,16,17)
InChIKeyKXNMYYFBPDFQMF-UHFFFAOYSA-N
XLogP1.75
TPSA43.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,6-N,4-tetramethyl-6-N-[2-(2-methylthiophen-3-yl)ethyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine?
The IUPAC name of 2-N,2-N,6-N,4-tetramethyl-6-N-[2-(2-methylthiophen-3-yl)ethyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine (CID 130258012) is 2-N,2-N,6-N,4-tetramethyl-6-N-[2-(2-methylthiophen-3-yl)ethyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine.
What is the SMILES notation for 2-N,2-N,6-N,4-tetramethyl-6-N-[2-(2-methylthiophen-3-yl)ethyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine?
The canonical SMILES for 2-N,2-N,6-N,4-tetramethyl-6-N-[2-(2-methylthiophen-3-yl)ethyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine is Cc1sccc1CCN(C)C1=NC(C)N=C(N(C)C)N1.
What is the InChIKey of 2-N,2-N,6-N,4-tetramethyl-6-N-[2-(2-methylthiophen-3-yl)ethyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine?
The InChIKey is KXNMYYFBPDFQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5S/c1-10-12(7-9-20-10)6-8-19(5)14-16-11(2)15-13(17-14)18(3)4/h7,9,11H,6,8H2,1-5H3,(H,15,16,17).
What are the key properties of 2-N,2-N,6-N,4-tetramethyl-6-N-[2-(2-methylthiophen-3-yl)ethyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine?
2-N,2-N,6-N,4-tetramethyl-6-N-[2-(2-methylthiophen-3-yl)ethyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine has a molecular weight of 293.44 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,6-N,4-tetramethyl-6-N-[2-(2-methylthiophen-3-yl)ethyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine is sourced from PubChem (CID 130258012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).