4,6-dichloro-2-(3,3,3-trifluoropropylsulfanyl)pyrimidin-5-amine

C7H6Cl2F3N3S — CID 138110485

IUPAC4,6-dichloro-2-(3,3,3-trifluoropropylsulfanyl)pyrimidin-5-amine
SMILESNc1c(Cl)nc(SCCC(F)(F)F)nc1Cl
InChIInChI=1S/C7H6Cl2F3N3S/c8-4-3(13)5(9)15-6(14-4)16-2-1-7(10,11)12/h1-2,13H2
InChIKeyFEQCMETZZUDWRA-UHFFFAOYSA-N
MW292.11 g/mol
LogP3.41
Rot. Bonds3

About 4,6-dichloro-2-(3,3,3-trifluoropropylsulfanyl)pyrimidin-5-amine

4,6-dichloro-2-(3,3,3-trifluoropropylsulfanyl)pyrimidin-5-amine (PubChem CID 138110485) has the molecular formula C7H6Cl2F3N3S and a molecular weight of 292.11 g/mol. Its IUPAC name is 4,6-dichloro-2-(3,3,3-trifluoropropylsulfanyl)pyrimidin-5-amine.

Molecular Properties

Compound Name4,6-dichloro-2-(3,3,3-trifluoropropylsulfanyl)pyrimidin-5-amine
PubChem CID138110485
Molecular FormulaC7H6Cl2F3N3S
Molecular Weight292.11 g/mol
Exact Mass290.96
IUPAC Name4,6-dichloro-2-(3,3,3-trifluoropropylsulfanyl)pyrimidin-5-amine
SMILESNc1c(Cl)nc(SCCC(F)(F)F)nc1Cl
InChIInChI=1S/C7H6Cl2F3N3S/c8-4-3(13)5(9)15-6(14-4)16-2-1-7(10,11)12/h1-2,13H2
InChIKeyFEQCMETZZUDWRA-UHFFFAOYSA-N
XLogP3.41
TPSA51.80 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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,6-dichloro-2-(3,3,3-trifluoropropylsulfanyl)pyrimidin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,6-Dichloro-2-(propylthio)pyrimidin-5-amine
CID 11436336
4,6-Dichloro-2-(methylsulfanyl)pyrimidin-5-amine
CID 57742486
6-Chloro-2-propylsulfanylpyrimidine-4,5-diamine
CID 89094226
CID 22268938
CID 22268938
N-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)-2,2,2-trifluoroacetamide
CID 86280888
N-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)-2,2-difluoropropanamide
CID 123728866
6-chloro-2-propylsulfanyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine
CID 139410886
6-Chloro-2-(3,3,3-trifluoropropylsulfanyl)pyrimidine-4,5-diamine
CID 141433924
6-Chloro-5-nitro-2-(3,3,3-trifluoropropylsulfanyl)pyrimidin-4-amine
CID 141433925
2-(3,3,3-Trifluoropropylsulfanyl)pyrimidine-4,5,6-triamine
CID 141513058
4,6-Difluoro-2-propylsulfanylpyrimidin-5-amine
CID 73506374
4,6-Dichloro-5-fluoro-2-(propan-2-ylsulfanyl)pyrimidine
CID 165439312

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(3,3,3-trifluoropropylsulfanyl)pyrimidin-5-amine?
The IUPAC name of 4,6-dichloro-2-(3,3,3-trifluoropropylsulfanyl)pyrimidin-5-amine (CID 138110485) is 4,6-dichloro-2-(3,3,3-trifluoropropylsulfanyl)pyrimidin-5-amine.
What is the SMILES notation for 4,6-dichloro-2-(3,3,3-trifluoropropylsulfanyl)pyrimidin-5-amine?
The canonical SMILES for 4,6-dichloro-2-(3,3,3-trifluoropropylsulfanyl)pyrimidin-5-amine is Nc1c(Cl)nc(SCCC(F)(F)F)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-(3,3,3-trifluoropropylsulfanyl)pyrimidin-5-amine?
The InChIKey is FEQCMETZZUDWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2F3N3S/c8-4-3(13)5(9)15-6(14-4)16-2-1-7(10,11)12/h1-2,13H2.
What are the key properties of 4,6-dichloro-2-(3,3,3-trifluoropropylsulfanyl)pyrimidin-5-amine?
4,6-dichloro-2-(3,3,3-trifluoropropylsulfanyl)pyrimidin-5-amine has a molecular weight of 292.11 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(3,3,3-trifluoropropylsulfanyl)pyrimidin-5-amine is sourced from PubChem (CID 138110485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).