6-chloro-2-(3,3,3-trifluoropropylsulfanyl)pyrimidine-4,5-diamine

C7H8ClF3N4S — CID 141433924

IUPAC6-chloro-2-(3,3,3-trifluoropropylsulfanyl)pyrimidine-4,5-diamine
SMILESNc1nc(SCCC(F)(F)F)nc(Cl)c1N
InChIInChI=1S/C7H8ClF3N4S/c8-4-3(12)5(13)15-6(14-4)16-2-1-7(9,10)11/h1-2,12H2,(H2,13,14,15)
InChIKeyGBINSANFZBZHAT-UHFFFAOYSA-N
MW272.68 g/mol
LogP2.34
Rot. Bonds3

About 6-chloro-2-(3,3,3-trifluoropropylsulfanyl)pyrimidine-4,5-diamine

6-chloro-2-(3,3,3-trifluoropropylsulfanyl)pyrimidine-4,5-diamine (PubChem CID 141433924) has the molecular formula C7H8ClF3N4S and a molecular weight of 272.68 g/mol. Its IUPAC name is 6-chloro-2-(3,3,3-trifluoropropylsulfanyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-2-(3,3,3-trifluoropropylsulfanyl)pyrimidine-4,5-diamine
PubChem CID141433924
Molecular FormulaC7H8ClF3N4S
Molecular Weight272.68 g/mol
Exact Mass272.01
IUPAC Name6-chloro-2-(3,3,3-trifluoropropylsulfanyl)pyrimidine-4,5-diamine
SMILESNc1nc(SCCC(F)(F)F)nc(Cl)c1N
InChIInChI=1S/C7H8ClF3N4S/c8-4-3(12)5(13)15-6(14-4)16-2-1-7(9,10)11/h1-2,12H2,(H2,13,14,15)
InChIKeyGBINSANFZBZHAT-UHFFFAOYSA-N
XLogP2.34
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.68
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-Dichloro-2-(propylthio)pyrimidin-5-amine
CID 11436336
6-Chloro-5-nitro-2-(propylsulfanyl)pyrimidin-4-amine
CID 71463940
6-Chloro-2-propylsulfanylpyrimidine-4,5-diamine
CID 89094226
6-chloro-2-propylsulfanyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine
CID 139410886
6-Chloro-5-nitro-2-(3,3,3-trifluoropropylsulfanyl)pyrimidin-4-amine
CID 141433925
5-Nitroso-2-(3,3,3-trifluoropropylsulfanyl)pyrimidine-4,6-diamine
CID 141513056
2-(3,3,3-Trifluoropropylsulfanyl)pyrimidine-4,5,6-triamine
CID 141513058
4,6-Difluoro-2-propylsulfanylpyrimidin-5-amine
CID 73506374
6-chloro-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,5-diamine
CID 106426352
4,6-Dichloro-2-((3,3,3-trifluoropropyl)thio)pyrimidin-5-amine
CID 138110485
2-hexylsulfanyl(1,3-15N2)pyrimidine-4,5,6-tri(15N3)amine
CID 10900932
2-(Butylthio)-4,6-dichloropyrimidin-5-amine
CID 22268935

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3,3,3-trifluoropropylsulfanyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-2-(3,3,3-trifluoropropylsulfanyl)pyrimidine-4,5-diamine (CID 141433924) is 6-chloro-2-(3,3,3-trifluoropropylsulfanyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-2-(3,3,3-trifluoropropylsulfanyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-2-(3,3,3-trifluoropropylsulfanyl)pyrimidine-4,5-diamine is Nc1nc(SCCC(F)(F)F)nc(Cl)c1N.
What is the InChIKey of 6-chloro-2-(3,3,3-trifluoropropylsulfanyl)pyrimidine-4,5-diamine?
The InChIKey is GBINSANFZBZHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClF3N4S/c8-4-3(12)5(13)15-6(14-4)16-2-1-7(9,10)11/h1-2,12H2,(H2,13,14,15).
What are the key properties of 6-chloro-2-(3,3,3-trifluoropropylsulfanyl)pyrimidine-4,5-diamine?
6-chloro-2-(3,3,3-trifluoropropylsulfanyl)pyrimidine-4,5-diamine has a molecular weight of 272.68 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3,3,3-trifluoropropylsulfanyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 141433924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).