4-chloro-2-methylsulfanyl-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidine

C10H11ClF3N3S — CID 58504425

IUPAC4-chloro-2-methylsulfanyl-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidine
SMILESCSc1nc(Cl)cc(N2CCC[C@H]2C(F)(F)F)n1
InChIInChI=1S/C10H11ClF3N3S/c1-18-9-15-7(11)5-8(16-9)17-4-2-3-6(17)10(12,13)14/h5-6H,2-4H2,1H3/t6-/m0/s1
InChIKeyFVCFKRYBNQTOHD-LURJTMIESA-N
MW297.73 g/mol
LogP3.38
Rot. Bonds2

About 4-chloro-2-methylsulfanyl-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidine

4-chloro-2-methylsulfanyl-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidine (PubChem CID 58504425) has the molecular formula C10H11ClF3N3S and a molecular weight of 297.73 g/mol. Its IUPAC name is 4-chloro-2-methylsulfanyl-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-methylsulfanyl-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidine
PubChem CID58504425
Molecular FormulaC10H11ClF3N3S
Molecular Weight297.73 g/mol
Exact Mass297.03
IUPAC Name4-chloro-2-methylsulfanyl-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidine
SMILESCSc1nc(Cl)cc(N2CCC[C@H]2C(F)(F)F)n1
InChIInChI=1S/C10H11ClF3N3S/c1-18-9-15-7(11)5-8(16-9)17-4-2-3-6(17)10(12,13)14/h5-6H,2-4H2,1H3/t6-/m0/s1
InChIKeyFVCFKRYBNQTOHD-LURJTMIESA-N
XLogP3.38
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.73
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methylsulfanyl-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 4-chloro-2-methylsulfanyl-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidine (CID 58504425) is 4-chloro-2-methylsulfanyl-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 4-chloro-2-methylsulfanyl-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 4-chloro-2-methylsulfanyl-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidine is CSc1nc(Cl)cc(N2CCC[C@H]2C(F)(F)F)n1.
What is the InChIKey of 4-chloro-2-methylsulfanyl-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidine?
The InChIKey is FVCFKRYBNQTOHD-LURJTMIESA-N. The full InChI is InChI=1S/C10H11ClF3N3S/c1-18-9-15-7(11)5-8(16-9)17-4-2-3-6(17)10(12,13)14/h5-6H,2-4H2,1H3/t6-/m0/s1.
What are the key properties of 4-chloro-2-methylsulfanyl-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidine?
4-chloro-2-methylsulfanyl-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidine has a molecular weight of 297.73 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methylsulfanyl-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 58504425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).