4-chloro-6-(2,4-difluorophenyl)sulfanyl-N,N-diethyl-1,3,5-triazin-2-amine

C13H13ClF2N4S — CID 62866141

IUPAC4-chloro-6-(2,4-difluorophenyl)sulfanyl-N,N-diethyl-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(Sc2ccc(F)cc2F)n1
InChIInChI=1S/C13H13ClF2N4S/c1-3-20(4-2)12-17-11(14)18-13(19-12)21-10-6-5-8(15)7-9(10)16/h5-7H,3-4H2,1-2H3
InChIKeyQQMDKAVBNXWNRU-UHFFFAOYSA-N
MW330.79 g/mol
LogP3.80
Rot. Bonds5

About 4-chloro-6-(2,4-difluorophenyl)sulfanyl-N,N-diethyl-1,3,5-triazin-2-amine

4-chloro-6-(2,4-difluorophenyl)sulfanyl-N,N-diethyl-1,3,5-triazin-2-amine (PubChem CID 62866141) has the molecular formula C13H13ClF2N4S and a molecular weight of 330.79 g/mol. Its IUPAC name is 4-chloro-6-(2,4-difluorophenyl)sulfanyl-N,N-diethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2,4-difluorophenyl)sulfanyl-N,N-diethyl-1,3,5-triazin-2-amine
PubChem CID62866141
Molecular FormulaC13H13ClF2N4S
Molecular Weight330.79 g/mol
Exact Mass330.05
IUPAC Name4-chloro-6-(2,4-difluorophenyl)sulfanyl-N,N-diethyl-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(Sc2ccc(F)cc2F)n1
InChIInChI=1S/C13H13ClF2N4S/c1-3-20(4-2)12-17-11(14)18-13(19-12)21-10-6-5-8(15)7-9(10)16/h5-7H,3-4H2,1-2H3
InChIKeyQQMDKAVBNXWNRU-UHFFFAOYSA-N
XLogP3.80
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.79
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,4-difluorophenyl)sulfanyl-N,N-diethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(2,4-difluorophenyl)sulfanyl-N,N-diethyl-1,3,5-triazin-2-amine (CID 62866141) is 4-chloro-6-(2,4-difluorophenyl)sulfanyl-N,N-diethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(2,4-difluorophenyl)sulfanyl-N,N-diethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(2,4-difluorophenyl)sulfanyl-N,N-diethyl-1,3,5-triazin-2-amine is CCN(CC)c1nc(Cl)nc(Sc2ccc(F)cc2F)n1.
What is the InChIKey of 4-chloro-6-(2,4-difluorophenyl)sulfanyl-N,N-diethyl-1,3,5-triazin-2-amine?
The InChIKey is QQMDKAVBNXWNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF2N4S/c1-3-20(4-2)12-17-11(14)18-13(19-12)21-10-6-5-8(15)7-9(10)16/h5-7H,3-4H2,1-2H3.
What are the key properties of 4-chloro-6-(2,4-difluorophenyl)sulfanyl-N,N-diethyl-1,3,5-triazin-2-amine?
4-chloro-6-(2,4-difluorophenyl)sulfanyl-N,N-diethyl-1,3,5-triazin-2-amine has a molecular weight of 330.79 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,4-difluorophenyl)sulfanyl-N,N-diethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62866141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).