6-chloro-2-cyclopropyl-3-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-one

C10H10ClF3N2OS — CID 114584658

IUPAC6-chloro-2-cyclopropyl-3-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-one
SMILESO=c1cc(Cl)nc(C2CC2)n1CCSC(F)(F)F
InChIInChI=1S/C10H10ClF3N2OS/c11-7-5-8(17)16(3-4-18-10(12,13)14)9(15-7)6-1-2-6/h5-6H,1-4H2
InChIKeyOVZGUDJZIZDNST-UHFFFAOYSA-N
MW298.72 g/mol
LogP3.03
Rot. Bonds4

About 6-chloro-2-cyclopropyl-3-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-one

6-chloro-2-cyclopropyl-3-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-one (PubChem CID 114584658) has the molecular formula C10H10ClF3N2OS and a molecular weight of 298.72 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-3-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-3-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-one
PubChem CID114584658
Molecular FormulaC10H10ClF3N2OS
Molecular Weight298.72 g/mol
Exact Mass298.02
IUPAC Name6-chloro-2-cyclopropyl-3-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-one
SMILESO=c1cc(Cl)nc(C2CC2)n1CCSC(F)(F)F
InChIInChI=1S/C10H10ClF3N2OS/c11-7-5-8(17)16(3-4-18-10(12,13)14)9(15-7)6-1-2-6/h5-6H,1-4H2
InChIKeyOVZGUDJZIZDNST-UHFFFAOYSA-N
XLogP3.03
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.72
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-Chloro-2-cyclopropyl-3-(4,4,4-trifluorobutyl)pyrimidin-4-one
CID 113604553
6-Chloro-2-propan-2-yl-3-(4,4,4-trifluorobutyl)pyrimidin-4-one
CID 113604603
6-Chloro-2-propan-2-yl-3-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-one
CID 113604616
6-Chloro-2-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-one
CID 114581808
6-Chloro-2-ethyl-3-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-one
CID 114584339
6-Chloro-2-cyclopropyl-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 114584528
6-Chloro-2-cyclopropyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 114584538
6-Chloro-2-cyclopropyl-3-(difluoromethyl)pyrimidin-4-one
CID 114584623
6-Chloro-2-cyclopropyl-3-(2,2-difluoroethyl)pyrimidin-4-one
CID 114584636
6-Chloro-2-cyclopropyl-3-(2-fluoroethyl)pyrimidin-4-one
CID 114584708
6-Chloro-2-cyclopropyl-3-(3-fluoropropyl)pyrimidin-4-one
CID 114584763
6-Chloro-2-ethyl-3-(2-methylsulfanylethyl)pyrimidin-4-one
CID 114584470

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-3-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-one?
The IUPAC name of 6-chloro-2-cyclopropyl-3-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-one (CID 114584658) is 6-chloro-2-cyclopropyl-3-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-cyclopropyl-3-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-cyclopropyl-3-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-one is O=c1cc(Cl)nc(C2CC2)n1CCSC(F)(F)F.
What is the InChIKey of 6-chloro-2-cyclopropyl-3-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-one?
The InChIKey is OVZGUDJZIZDNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2OS/c11-7-5-8(17)16(3-4-18-10(12,13)14)9(15-7)6-1-2-6/h5-6H,1-4H2.
What are the key properties of 6-chloro-2-cyclopropyl-3-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-one?
6-chloro-2-cyclopropyl-3-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-one has a molecular weight of 298.72 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-3-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-one is sourced from PubChem (CID 114584658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).