6-methyl-2-N-[4-(3-methylthiophen-2-yl)butan-2-yl]-1,3,5-triazine-2,4-diamine

C13H19N5S — CID 22090865

IUPAC6-methyl-2-N-[4-(3-methylthiophen-2-yl)butan-2-yl]-1,3,5-triazine-2,4-diamine
SMILESCc1nc(N)nc(NC(C)CCc2sccc2C)n1
InChIInChI=1S/C13H19N5S/c1-8-6-7-19-11(8)5-4-9(2)15-13-17-10(3)16-12(14)18-13/h6-7,9H,4-5H2,1-3H3,(H3,14,15,16,17,18)
InChIKeyFRTJFCAGXRKPCE-UHFFFAOYSA-N
MW277.40 g/mol
LogP2.57
Rot. Bonds5

About 6-methyl-2-N-[4-(3-methylthiophen-2-yl)butan-2-yl]-1,3,5-triazine-2,4-diamine

6-methyl-2-N-[4-(3-methylthiophen-2-yl)butan-2-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 22090865) has the molecular formula C13H19N5S and a molecular weight of 277.40 g/mol. Its IUPAC name is 6-methyl-2-N-[4-(3-methylthiophen-2-yl)butan-2-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-2-N-[4-(3-methylthiophen-2-yl)butan-2-yl]-1,3,5-triazine-2,4-diamine
PubChem CID22090865
Molecular FormulaC13H19N5S
Molecular Weight277.40 g/mol
Exact Mass277.14
IUPAC Name6-methyl-2-N-[4-(3-methylthiophen-2-yl)butan-2-yl]-1,3,5-triazine-2,4-diamine
SMILESCc1nc(N)nc(NC(C)CCc2sccc2C)n1
InChIInChI=1S/C13H19N5S/c1-8-6-7-19-11(8)5-4-9(2)15-13-17-10(3)16-12(14)18-13/h6-7,9H,4-5H2,1-3H3,(H3,14,15,16,17,18)
InChIKeyFRTJFCAGXRKPCE-UHFFFAOYSA-N
XLogP2.57
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-methyl-2-N-[4-(3-methylthiophen-2-yl)butan-2-yl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

ethane;6-methyl-2-N-[(2R)-4-phenylbutan-2-yl]-1,3,5-triazine-2,4-diamine
CID 91072276
2-N-[4-(2,5-dichlorothiophen-3-yl)butan-2-yl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 22090881
N-[4-[4-(3-fluorothiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]formamide
CID 22090972
2-(3-bromobutyl)-3-methylthiophene
CID 79994830
6-(1-fluoroethyl)-2-N-(4-thiophen-2-ylbutan-2-yl)-1,3,5-triazine-2,4-diamine
CID 20682193
6-(1-fluoroethyl)-2-N-(4-thiophen-3-ylbutan-2-yl)-1,3,5-triazine-2,4-diamine
CID 20682194
3-methyl-5-(3-methylthiophen-2-yl)-N-propylpentan-1-amine
CID 65303987
2-N-[1-(3,4-dimethylphenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 21348651
4,4-dimethyl-1-(3-methylthiophen-2-yl)pentan-3-ol
CID 79995429
N-[4-methyl-6-[4-(5-methylthiophen-2-yl)butan-2-ylamino]-1,3,5-triazin-2-yl]acetamide
CID 22091002
2-N-[1-(4-chlorophenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 21348659
methane;N-[4-methyl-6-[1-(3-methylthiophen-2-yl)ethylamino]-1,3,5-triazin-2-yl]acetamide
CID 160849117

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-[4-(3-methylthiophen-2-yl)butan-2-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methyl-2-N-[4-(3-methylthiophen-2-yl)butan-2-yl]-1,3,5-triazine-2,4-diamine (CID 22090865) is 6-methyl-2-N-[4-(3-methylthiophen-2-yl)butan-2-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methyl-2-N-[4-(3-methylthiophen-2-yl)butan-2-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methyl-2-N-[4-(3-methylthiophen-2-yl)butan-2-yl]-1,3,5-triazine-2,4-diamine is Cc1nc(N)nc(NC(C)CCc2sccc2C)n1.
What is the InChIKey of 6-methyl-2-N-[4-(3-methylthiophen-2-yl)butan-2-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is FRTJFCAGXRKPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S/c1-8-6-7-19-11(8)5-4-9(2)15-13-17-10(3)16-12(14)18-13/h6-7,9H,4-5H2,1-3H3,(H3,14,15,16,17,18).
What are the key properties of 6-methyl-2-N-[4-(3-methylthiophen-2-yl)butan-2-yl]-1,3,5-triazine-2,4-diamine?
6-methyl-2-N-[4-(3-methylthiophen-2-yl)butan-2-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 277.40 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-[4-(3-methylthiophen-2-yl)butan-2-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 22090865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).