4-methyl-6-(3-methyl-4-thiophen-2-ylbutan-2-yl)-1,4-dihydro-1,3,5-triazin-2-amine

C13H20N4S — CID 123890657

IUPAC4-methyl-6-(3-methyl-4-thiophen-2-ylbutan-2-yl)-1,4-dihydro-1,3,5-triazin-2-amine
SMILESCC1N=C(N)NC(C(C)C(C)Cc2cccs2)=N1
InChIInChI=1S/C13H20N4S/c1-8(7-11-5-4-6-18-11)9(2)12-15-10(3)16-13(14)17-12/h4-6,8-10H,7H2,1-3H3,(H3,14,15,16,17)
InChIKeySINCNMVQTQCFIU-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.23
Rot. Bonds4

About 4-methyl-6-(3-methyl-4-thiophen-2-ylbutan-2-yl)-1,4-dihydro-1,3,5-triazin-2-amine

4-methyl-6-(3-methyl-4-thiophen-2-ylbutan-2-yl)-1,4-dihydro-1,3,5-triazin-2-amine (PubChem CID 123890657) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is 4-methyl-6-(3-methyl-4-thiophen-2-ylbutan-2-yl)-1,4-dihydro-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methyl-6-(3-methyl-4-thiophen-2-ylbutan-2-yl)-1,4-dihydro-1,3,5-triazin-2-amine
PubChem CID123890657
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name4-methyl-6-(3-methyl-4-thiophen-2-ylbutan-2-yl)-1,4-dihydro-1,3,5-triazin-2-amine
SMILESCC1N=C(N)NC(C(C)C(C)Cc2cccs2)=N1
InChIInChI=1S/C13H20N4S/c1-8(7-11-5-4-6-18-11)9(2)12-15-10(3)16-13(14)17-12/h4-6,8-10H,7H2,1-3H3,(H3,14,15,16,17)
InChIKeySINCNMVQTQCFIU-UHFFFAOYSA-N
XLogP2.23
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(3-methyl-4-thiophen-2-ylbutan-2-yl)-1,4-dihydro-1,3,5-triazin-2-amine?
The IUPAC name of 4-methyl-6-(3-methyl-4-thiophen-2-ylbutan-2-yl)-1,4-dihydro-1,3,5-triazin-2-amine (CID 123890657) is 4-methyl-6-(3-methyl-4-thiophen-2-ylbutan-2-yl)-1,4-dihydro-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methyl-6-(3-methyl-4-thiophen-2-ylbutan-2-yl)-1,4-dihydro-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methyl-6-(3-methyl-4-thiophen-2-ylbutan-2-yl)-1,4-dihydro-1,3,5-triazin-2-amine is CC1N=C(N)NC(C(C)C(C)Cc2cccs2)=N1.
What is the InChIKey of 4-methyl-6-(3-methyl-4-thiophen-2-ylbutan-2-yl)-1,4-dihydro-1,3,5-triazin-2-amine?
The InChIKey is SINCNMVQTQCFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-8(7-11-5-4-6-18-11)9(2)12-15-10(3)16-13(14)17-12/h4-6,8-10H,7H2,1-3H3,(H3,14,15,16,17).
What are the key properties of 4-methyl-6-(3-methyl-4-thiophen-2-ylbutan-2-yl)-1,4-dihydro-1,3,5-triazin-2-amine?
4-methyl-6-(3-methyl-4-thiophen-2-ylbutan-2-yl)-1,4-dihydro-1,3,5-triazin-2-amine has a molecular weight of 264.40 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(3-methyl-4-thiophen-2-ylbutan-2-yl)-1,4-dihydro-1,3,5-triazin-2-amine is sourced from PubChem (CID 123890657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).