N,N,4-trimethyl-6-[1-(5-methylthiophen-2-yl)butyl]-1,4-dihydro-1,3,5-triazin-2-amine

C15H24N4S — CID 123556629

IUPACN,N,4-trimethyl-6-[1-(5-methylthiophen-2-yl)butyl]-1,4-dihydro-1,3,5-triazin-2-amine
SMILESCCCC(C1=NC(C)N=C(N(C)C)N1)c1ccc(C)s1
InChIInChI=1S/C15H24N4S/c1-6-7-12(13-9-8-10(2)20-13)14-16-11(3)17-15(18-14)19(4)5/h8-9,11-12H,6-7H2,1-5H3,(H,16,17,18)
InChIKeyYNVCWWIHUQJRNQ-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.21
Rot. Bonds4

About N,N,4-trimethyl-6-[1-(5-methylthiophen-2-yl)butyl]-1,4-dihydro-1,3,5-triazin-2-amine

N,N,4-trimethyl-6-[1-(5-methylthiophen-2-yl)butyl]-1,4-dihydro-1,3,5-triazin-2-amine (PubChem CID 123556629) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is N,N,4-trimethyl-6-[1-(5-methylthiophen-2-yl)butyl]-1,4-dihydro-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-6-[1-(5-methylthiophen-2-yl)butyl]-1,4-dihydro-1,3,5-triazin-2-amine
PubChem CID123556629
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC NameN,N,4-trimethyl-6-[1-(5-methylthiophen-2-yl)butyl]-1,4-dihydro-1,3,5-triazin-2-amine
SMILESCCCC(C1=NC(C)N=C(N(C)C)N1)c1ccc(C)s1
InChIInChI=1S/C15H24N4S/c1-6-7-12(13-9-8-10(2)20-13)14-16-11(3)17-15(18-14)19(4)5/h8-9,11-12H,6-7H2,1-5H3,(H,16,17,18)
InChIKeyYNVCWWIHUQJRNQ-UHFFFAOYSA-N
XLogP3.21
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-6-[1-(5-methylthiophen-2-yl)butyl]-1,4-dihydro-1,3,5-triazin-2-amine?
The IUPAC name of N,N,4-trimethyl-6-[1-(5-methylthiophen-2-yl)butyl]-1,4-dihydro-1,3,5-triazin-2-amine (CID 123556629) is N,N,4-trimethyl-6-[1-(5-methylthiophen-2-yl)butyl]-1,4-dihydro-1,3,5-triazin-2-amine.
What is the SMILES notation for N,N,4-trimethyl-6-[1-(5-methylthiophen-2-yl)butyl]-1,4-dihydro-1,3,5-triazin-2-amine?
The canonical SMILES for N,N,4-trimethyl-6-[1-(5-methylthiophen-2-yl)butyl]-1,4-dihydro-1,3,5-triazin-2-amine is CCCC(C1=NC(C)N=C(N(C)C)N1)c1ccc(C)s1.
What is the InChIKey of N,N,4-trimethyl-6-[1-(5-methylthiophen-2-yl)butyl]-1,4-dihydro-1,3,5-triazin-2-amine?
The InChIKey is YNVCWWIHUQJRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-6-7-12(13-9-8-10(2)20-13)14-16-11(3)17-15(18-14)19(4)5/h8-9,11-12H,6-7H2,1-5H3,(H,16,17,18).
What are the key properties of N,N,4-trimethyl-6-[1-(5-methylthiophen-2-yl)butyl]-1,4-dihydro-1,3,5-triazin-2-amine?
N,N,4-trimethyl-6-[1-(5-methylthiophen-2-yl)butyl]-1,4-dihydro-1,3,5-triazin-2-amine has a molecular weight of 292.45 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-6-[1-(5-methylthiophen-2-yl)butyl]-1,4-dihydro-1,3,5-triazin-2-amine is sourced from PubChem (CID 123556629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).