6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

C14H17N5S — CID 80892824

IUPAC6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(Sc2ccc3c(c2)CCC3)n1
InChIInChI=1S/C14H17N5S/c1-19(2)13-16-12(15)17-14(18-13)20-11-7-6-9-4-3-5-10(9)8-11/h6-8H,3-5H2,1-2H3,(H2,15,16,17,18)
InChIKeyJDEQQLKPKIKKKX-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.16
Rot. Bonds3

About 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 80892824) has the molecular formula C14H17N5S and a molecular weight of 287.39 g/mol. Its IUPAC name is 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID80892824
Molecular FormulaC14H17N5S
Molecular Weight287.39 g/mol
Exact Mass287.12
IUPAC Name6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(Sc2ccc3c(c2)CCC3)n1
InChIInChI=1S/C14H17N5S/c1-19(2)13-16-12(15)17-14(18-13)20-11-7-6-9-4-3-5-10(9)8-11/h6-8H,3-5H2,1-2H3,(H2,15,16,17,18)
InChIKeyJDEQQLKPKIKKKX-UHFFFAOYSA-N
XLogP2.16
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 80892824) is 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(C)c1nc(N)nc(Sc2ccc3c(c2)CCC3)n1.
What is the InChIKey of 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is JDEQQLKPKIKKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5S/c1-19(2)13-16-12(15)17-14(18-13)20-11-7-6-9-4-3-5-10(9)8-11/h6-8H,3-5H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 287.39 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80892824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).