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

C8H6ClF3N2OS — CID 168894334

IUPAC2-chloro-4-(oxetan-3-ylsulfanyl)-5-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cnc(Cl)nc1SC1COC1
InChIInChI=1S/C8H6ClF3N2OS/c9-7-13-1-5(8(10,11)12)6(14-7)16-4-2-15-3-4/h1,4H,2-3H2
InChIKeyDNPDFCCGHSGFAP-UHFFFAOYSA-N
MW270.66 g/mol
LogP2.64
Rot. Bonds2

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

2-chloro-4-(oxetan-3-ylsulfanyl)-5-(trifluoromethyl)pyrimidine (PubChem CID 168894334) has the molecular formula C8H6ClF3N2OS and a molecular weight of 270.66 g/mol. Its IUPAC name is 2-chloro-4-(oxetan-3-ylsulfanyl)-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(oxetan-3-ylsulfanyl)-5-(trifluoromethyl)pyrimidine
PubChem CID168894334
Molecular FormulaC8H6ClF3N2OS
Molecular Weight270.66 g/mol
Exact Mass269.98
IUPAC Name2-chloro-4-(oxetan-3-ylsulfanyl)-5-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cnc(Cl)nc1SC1COC1
InChIInChI=1S/C8H6ClF3N2OS/c9-7-13-1-5(8(10,11)12)6(14-7)16-4-2-15-3-4/h1,4H,2-3H2
InChIKeyDNPDFCCGHSGFAP-UHFFFAOYSA-N
XLogP2.64
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.66
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Chloro-4-ethylsulfanyl-5-fluoropyrimidine
CID 13530705
2-Chloro-4-methylsulfanyl-5-trifluoromethylpyrimidine
CID 58464574
2-Methoxy-5-(3,3,3-trifluoropropylsulfanylmethyl)pyrimidine
CID 67160374
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-(trifluoromethyl)pyrimidine
CID 118464609
2-Chloro-4-(1-methylsulfonylazetidin-3-yl)sulfanyl-5-(trifluoromethyl)pyrimidine
CID 118464611
Tert-butyl 3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]sulfanylazetidine-1-carboxylate
CID 118464612
2-Chloro-4-ethylsulfanyl-5-(trifluoromethyl)pyrimidine
CID 135374624
4-Chloro-2-(oxetan-3-ylsulfanyl)-5-(trifluoromethyl)pyrimidine
CID 168894269
2-Chloro-5-(difluoromethyl)-4-methylsulfanylpyrimidine
CID 172585996
2-Chloro-5-fluoro-4-(3-methoxypropylsulfanyl)pyrimidine
CID 79075378

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(oxetan-3-ylsulfanyl)-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-chloro-4-(oxetan-3-ylsulfanyl)-5-(trifluoromethyl)pyrimidine (CID 168894334) is 2-chloro-4-(oxetan-3-ylsulfanyl)-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-(oxetan-3-ylsulfanyl)-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-chloro-4-(oxetan-3-ylsulfanyl)-5-(trifluoromethyl)pyrimidine is FC(F)(F)c1cnc(Cl)nc1SC1COC1.
What is the InChIKey of 2-chloro-4-(oxetan-3-ylsulfanyl)-5-(trifluoromethyl)pyrimidine?
The InChIKey is DNPDFCCGHSGFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3N2OS/c9-7-13-1-5(8(10,11)12)6(14-7)16-4-2-15-3-4/h1,4H,2-3H2.
What are the key properties of 2-chloro-4-(oxetan-3-ylsulfanyl)-5-(trifluoromethyl)pyrimidine?
2-chloro-4-(oxetan-3-ylsulfanyl)-5-(trifluoromethyl)pyrimidine has a molecular weight of 270.66 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(oxetan-3-ylsulfanyl)-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 168894334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).