4-chloro-6-(oxolan-2-ylmethylsulfanyl)-2-(trifluoromethyl)pyrimidine

C10H10ClF3N2OS — CID 106768785

IUPAC4-chloro-6-(oxolan-2-ylmethylsulfanyl)-2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1nc(Cl)cc(SCC2CCCO2)n1
InChIInChI=1S/C10H10ClF3N2OS/c11-7-4-8(16-9(15-7)10(12,13)14)18-5-6-2-1-3-17-6/h4,6H,1-3,5H2
InChIKeyCBAGHLQMPYXQJO-UHFFFAOYSA-N
MW298.72 g/mol
LogP3.42
Rot. Bonds3

About 4-chloro-6-(oxolan-2-ylmethylsulfanyl)-2-(trifluoromethyl)pyrimidine

4-chloro-6-(oxolan-2-ylmethylsulfanyl)-2-(trifluoromethyl)pyrimidine (PubChem CID 106768785) has the molecular formula C10H10ClF3N2OS and a molecular weight of 298.72 g/mol. Its IUPAC name is 4-chloro-6-(oxolan-2-ylmethylsulfanyl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(oxolan-2-ylmethylsulfanyl)-2-(trifluoromethyl)pyrimidine
PubChem CID106768785
Molecular FormulaC10H10ClF3N2OS
Molecular Weight298.72 g/mol
Exact Mass298.02
IUPAC Name4-chloro-6-(oxolan-2-ylmethylsulfanyl)-2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1nc(Cl)cc(SCC2CCCO2)n1
InChIInChI=1S/C10H10ClF3N2OS/c11-7-4-8(16-9(15-7)10(12,13)14)18-5-6-2-1-3-17-6/h4,6H,1-3,5H2
InChIKeyCBAGHLQMPYXQJO-UHFFFAOYSA-N
XLogP3.42
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.72
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(oxolan-2-ylmethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 106498029
2-tert-butyl-6-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-4-amine
CID 96653247
N,2-dimethyl-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine
CID 106497707
4-chloro-6-methylsulfanyl-2-(trifluoromethyl)pyrimidine
CID 106768685
6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine
CID 106497698
6-(oxolan-2-ylmethylsulfanyl)pyridin-3-amine
CID 43301504
5-chloro-3-fluoro-2-(oxolan-2-ylmethylsulfanyl)pyridine
CID 106495322
2-chloro-5-fluoro-4-(oxolan-2-ylmethylsulfanyl)pyrimidine
CID 106494885
6-chloro-2-(oxolan-2-ylmethylsulfanyl)pyridine-3-carboxylic acid
CID 106493760
2-chloro-5-methyl-4-(oxolan-2-ylmethylsulfanyl)pyrimidine
CID 106494855
4-chloro-5-fluoro-6-(oxolan-2-ylmethylsulfanyl)benzene-1,3-diamine
CID 106494052
4,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 124585342

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(oxolan-2-ylmethylsulfanyl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-6-(oxolan-2-ylmethylsulfanyl)-2-(trifluoromethyl)pyrimidine (CID 106768785) is 4-chloro-6-(oxolan-2-ylmethylsulfanyl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(oxolan-2-ylmethylsulfanyl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(oxolan-2-ylmethylsulfanyl)-2-(trifluoromethyl)pyrimidine is FC(F)(F)c1nc(Cl)cc(SCC2CCCO2)n1.
What is the InChIKey of 4-chloro-6-(oxolan-2-ylmethylsulfanyl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is CBAGHLQMPYXQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2OS/c11-7-4-8(16-9(15-7)10(12,13)14)18-5-6-2-1-3-17-6/h4,6H,1-3,5H2.
What are the key properties of 4-chloro-6-(oxolan-2-ylmethylsulfanyl)-2-(trifluoromethyl)pyrimidine?
4-chloro-6-(oxolan-2-ylmethylsulfanyl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 298.72 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(oxolan-2-ylmethylsulfanyl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 106768785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).