4-chloro-6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,N-dimethyl-1,3,5-triazin-2-amine

C14H15ClN4S — CID 62867899

IUPAC4-chloro-6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(Sc2ccc3c(c2)CCC3)n1
InChIInChI=1S/C14H15ClN4S/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
InChIKeyVSVLFFUEEOGJSV-UHFFFAOYSA-N
MW306.82 g/mol
LogP3.23
Rot. Bonds3

About 4-chloro-6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,N-dimethyl-1,3,5-triazin-2-amine

4-chloro-6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 62867899) has the molecular formula C14H15ClN4S and a molecular weight of 306.82 g/mol. Its IUPAC name is 4-chloro-6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID62867899
Molecular FormulaC14H15ClN4S
Molecular Weight306.82 g/mol
Exact Mass306.07
IUPAC Name4-chloro-6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(Sc2ccc3c(c2)CCC3)n1
InChIInChI=1S/C14H15ClN4S/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
InChIKeyVSVLFFUEEOGJSV-UHFFFAOYSA-N
XLogP3.23
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,N-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,N-dimethyl-1,3,5-triazin-2-amine (CID 62867899) is 4-chloro-6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,N-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,N-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,N-dimethyl-1,3,5-triazin-2-amine is CN(C)c1nc(Cl)nc(Sc2ccc3c(c2)CCC3)n1.
What is the InChIKey of 4-chloro-6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is VSVLFFUEEOGJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4S/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.
What are the key properties of 4-chloro-6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,N-dimethyl-1,3,5-triazin-2-amine?
4-chloro-6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,N-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 306.82 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,N-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62867899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).