2,6-dichloro-5-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

C7H6Cl2F3N3S — CID 134097447

IUPAC2,6-dichloro-5-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCSc1c(Cl)nc(Cl)nc1NCC(F)(F)F
InChIInChI=1S/C7H6Cl2F3N3S/c1-16-3-4(8)14-6(9)15-5(3)13-2-7(10,11)12/h2H2,1H3,(H,13,14,15)
InChIKeyBDVDJZNAGSHJNZ-UHFFFAOYSA-N
MW292.11 g/mol
LogP3.48
Rot. Bonds3

About 2,6-dichloro-5-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

2,6-dichloro-5-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 134097447) has the molecular formula C7H6Cl2F3N3S and a molecular weight of 292.11 g/mol. Its IUPAC name is 2,6-dichloro-5-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2,6-dichloro-5-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID134097447
Molecular FormulaC7H6Cl2F3N3S
Molecular Weight292.11 g/mol
Exact Mass290.96
IUPAC Name2,6-dichloro-5-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCSc1c(Cl)nc(Cl)nc1NCC(F)(F)F
InChIInChI=1S/C7H6Cl2F3N3S/c1-16-3-4(8)14-6(9)15-5(3)13-2-7(10,11)12/h2H2,1H3,(H,13,14,15)
InChIKeyBDVDJZNAGSHJNZ-UHFFFAOYSA-N
XLogP3.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.11
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chloro-N-methyl-6-(4-methyl-1-piperazinyl)-5-(methylthio)-2-pyrimidinamine
CID 68678
N~4~-butyl-6-chloro-N~2~-methyl-5-(methylsulfanyl)-2,4-pyrimidinediamine
CID 2765582
6-chloro-N-methyl-2-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-4-amine
CID 13636863
2,4-Pyrimidinediamine, 6-chloro-N(sup 4)-(2-(diethylamino)ethyl)-N(sup 2),N(sup 2)-dimethyl-5-(methylthio)-
CID 3043348
2,4-Pyrimidinediamine, 6-chloro-N(sup 4)-(2-(diethylamino)ethyl)-N(sup 2),N(sup 2)-diethyl-5-(methylthio)-, dihydrobromide
CID 3043351
2,4-Pyrimidinediamine, 6-chloro-N(sup 4)-(2-(dimethylamino)ethyl)-N(sup 2),N(sup 2)-dimethyl-5-(methylthio)-
CID 3043359
6-Chloro-N-methyl-4-(4-methylpiperazin-1-yl)-5-(methylsulfanyl)pyrimidin-2(1H)-imine--hydrogen chloride (1/1)
CID 3057450
6-Chloro-5-(trifluoromethylsulfanyl)pyrimidine-2,4-diamine
CID 357980
Ukj 72J
CID 124699
Tioclorim
CID 50262
6-chloro-N-ethyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine
CID 14151822
2,6-dichloro-N-ethyl-5-(trifluoromethyl)pyrimidin-4-amine
CID 176309894

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-5-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 2,6-dichloro-5-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 134097447) is 2,6-dichloro-5-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 2,6-dichloro-5-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 2,6-dichloro-5-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is CSc1c(Cl)nc(Cl)nc1NCC(F)(F)F.
What is the InChIKey of 2,6-dichloro-5-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is BDVDJZNAGSHJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2F3N3S/c1-16-3-4(8)14-6(9)15-5(3)13-2-7(10,11)12/h2H2,1H3,(H,13,14,15).
What are the key properties of 2,6-dichloro-5-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
2,6-dichloro-5-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 292.11 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-5-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 134097447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).