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

C11H9ClF2N4S — CID 55125013

IUPAC4-chloro-6-(2,5-difluorophenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(Sc2cc(F)ccc2F)n1
InChIInChI=1S/C11H9ClF2N4S/c1-18(2)10-15-9(12)16-11(17-10)19-8-5-6(13)3-4-7(8)14/h3-5H,1-2H3
InChIKeyOZWKZLCRMFDNPI-UHFFFAOYSA-N
MW302.74 g/mol
LogP3.02
Rot. Bonds3

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

4-chloro-6-(2,5-difluorophenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 55125013) has the molecular formula C11H9ClF2N4S and a molecular weight of 302.74 g/mol. Its IUPAC name is 4-chloro-6-(2,5-difluorophenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2,5-difluorophenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID55125013
Molecular FormulaC11H9ClF2N4S
Molecular Weight302.74 g/mol
Exact Mass302.02
IUPAC Name4-chloro-6-(2,5-difluorophenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(Sc2cc(F)ccc2F)n1
InChIInChI=1S/C11H9ClF2N4S/c1-18(2)10-15-9(12)16-11(17-10)19-8-5-6(13)3-4-7(8)14/h3-5H,1-2H3
InChIKeyOZWKZLCRMFDNPI-UHFFFAOYSA-N
XLogP3.02
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3,5-Triazine, 2-chloro-4,6-bis(phenylthio)-
CID 555884
2,4-Difluoro-6-phenylsulfanyl-1,3,5-triazine
CID 12862
2-Fluoro-4-phenylsulfanyl-1,3,5-triazine
CID 54463919
2,4,6-Tris[(4-fluorophenyl)sulfanyl]-1,3,5-triazine
CID 176883446
N,N,N-Trimethyl-4,6-bis(phenylsulfanyl)-1,3,5-triazin-2-aminium chloride
CID 15890383
6-(4-Fluorophenyl)sulfanyl-1,3,5-triazine-2,4-diamine
CID 25099569
2-Chloro-4-(2,4-difluorophenyl)sulfanyl-6-methoxy-1,3,5-triazine
CID 55124127
2-Chloro-4-(2-fluorophenyl)sulfanyl-6-methoxy-1,3,5-triazine
CID 55124174
2-Chloro-4-(2,5-difluorophenyl)sulfanyl-6-methoxy-1,3,5-triazine
CID 55124223
2-Chloro-4-(3,4-difluorophenyl)sulfanyl-6-ethoxy-1,3,5-triazine
CID 55124699
4-chloro-6-(2-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 55125569
2-Chloro-4-(4-fluorophenyl)sulfanyl-6-propoxy-1,3,5-triazine
CID 55125570

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,5-difluorophenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(2,5-difluorophenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine (CID 55125013) is 4-chloro-6-(2,5-difluorophenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(2,5-difluorophenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(2,5-difluorophenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine is CN(C)c1nc(Cl)nc(Sc2cc(F)ccc2F)n1.
What is the InChIKey of 4-chloro-6-(2,5-difluorophenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is OZWKZLCRMFDNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF2N4S/c1-18(2)10-15-9(12)16-11(17-10)19-8-5-6(13)3-4-7(8)14/h3-5H,1-2H3.
What are the key properties of 4-chloro-6-(2,5-difluorophenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine?
4-chloro-6-(2,5-difluorophenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 302.74 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,5-difluorophenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 55125013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).