4-(azetidin-3-ylsulfanyl)-2-chloro-5-(trifluoromethyl)pyrimidine

C8H7ClF3N3S — CID 118464609

IUPAC4-(azetidin-3-ylsulfanyl)-2-chloro-5-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cnc(Cl)nc1SC1CNC1
InChIInChI=1S/C8H7ClF3N3S/c9-7-14-3-5(8(10,11)12)6(15-7)16-4-1-13-2-4/h3-4,13H,1-2H2
InChIKeyBUWXTAYYIHKZEE-UHFFFAOYSA-N
MW269.68 g/mol
LogP2.21
Rot. Bonds2

About 4-(azetidin-3-ylsulfanyl)-2-chloro-5-(trifluoromethyl)pyrimidine

4-(azetidin-3-ylsulfanyl)-2-chloro-5-(trifluoromethyl)pyrimidine (PubChem CID 118464609) has the molecular formula C8H7ClF3N3S and a molecular weight of 269.68 g/mol. Its IUPAC name is 4-(azetidin-3-ylsulfanyl)-2-chloro-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(azetidin-3-ylsulfanyl)-2-chloro-5-(trifluoromethyl)pyrimidine
PubChem CID118464609
Molecular FormulaC8H7ClF3N3S
Molecular Weight269.68 g/mol
Exact Mass269.00
IUPAC Name4-(azetidin-3-ylsulfanyl)-2-chloro-5-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cnc(Cl)nc1SC1CNC1
InChIInChI=1S/C8H7ClF3N3S/c9-7-14-3-5(8(10,11)12)6(15-7)16-4-1-13-2-4/h3-4,13H,1-2H2
InChIKeyBUWXTAYYIHKZEE-UHFFFAOYSA-N
XLogP2.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.68
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Chloro-4-ethylsulfanyl-5-fluoropyrimidine
CID 13530705
N'-[[2-(2,2-difluoroethylsulfanyl)pyrimidin-5-yl]methyl]ethane-1,2-diamine
CID 21697991
N'-[[2-(2,2,2-trifluoroethylsulfanyl)pyrimidin-5-yl]methyl]ethane-1,2-diamine
CID 21698197
2-Chloro-4-methylsulfanyl-5-trifluoromethylpyrimidine
CID 58464574
2,4-Bis-methylsulphanyl-5-trifluoromethyl-pyrimidine
CID 67436703
N-ethyl-4-ethylsulfanyl-5-(trifluoromethyl)pyrimidin-2-amine
CID 68165148
4-(Azetidin-3-ylsulfanyl)-2-chloro-5-fluoropyrimidine
CID 118464449
2-Chloro-4-(1-methylsulfonylazetidin-3-yl)sulfanyl-5-(trifluoromethyl)pyrimidine
CID 118464611
2-Chloro-4-ethylsulfanyl-5-(trifluoromethyl)pyrimidine
CID 135374624
2-Chloro-4-(oxetan-3-ylsulfanyl)-5-(trifluoromethyl)pyrimidine
CID 168894334
2-Chloro-5-(difluoromethyl)-4-methylsulfanylpyrimidine
CID 172585996
2-chloro-N-(2-methylsulfanylethyl)-5-(trifluoromethyl)pyrimidin-4-amine
CID 178820249

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-ylsulfanyl)-2-chloro-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(azetidin-3-ylsulfanyl)-2-chloro-5-(trifluoromethyl)pyrimidine (CID 118464609) is 4-(azetidin-3-ylsulfanyl)-2-chloro-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(azetidin-3-ylsulfanyl)-2-chloro-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(azetidin-3-ylsulfanyl)-2-chloro-5-(trifluoromethyl)pyrimidine is FC(F)(F)c1cnc(Cl)nc1SC1CNC1.
What is the InChIKey of 4-(azetidin-3-ylsulfanyl)-2-chloro-5-(trifluoromethyl)pyrimidine?
The InChIKey is BUWXTAYYIHKZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3N3S/c9-7-14-3-5(8(10,11)12)6(15-7)16-4-1-13-2-4/h3-4,13H,1-2H2.
What are the key properties of 4-(azetidin-3-ylsulfanyl)-2-chloro-5-(trifluoromethyl)pyrimidine?
4-(azetidin-3-ylsulfanyl)-2-chloro-5-(trifluoromethyl)pyrimidine has a molecular weight of 269.68 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-ylsulfanyl)-2-chloro-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 118464609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).