4-chloro-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidine

C8H6ClF3N2S — CID 83191317

IUPAC4-chloro-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESFC(F)(F)Cc1nc(Cl)c2c(n1)CSC2
InChIInChI=1S/C8H6ClF3N2S/c9-7-4-2-15-3-5(4)13-6(14-7)1-8(10,11)12/h1-3H2
InChIKeyOFYRKEFCPVEOTG-UHFFFAOYSA-N
MW254.66 g/mol
LogP2.98
Rot. Bonds1

About 4-chloro-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidine

4-chloro-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidine (PubChem CID 83191317) has the molecular formula C8H6ClF3N2S and a molecular weight of 254.66 g/mol. Its IUPAC name is 4-chloro-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidine
PubChem CID83191317
Molecular FormulaC8H6ClF3N2S
Molecular Weight254.66 g/mol
Exact Mass253.99
IUPAC Name4-chloro-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESFC(F)(F)Cc1nc(Cl)c2c(n1)CSC2
InChIInChI=1S/C8H6ClF3N2S/c9-7-4-2-15-3-5(4)13-6(14-7)1-8(10,11)12/h1-3H2
InChIKeyOFYRKEFCPVEOTG-UHFFFAOYSA-N
XLogP2.98
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.66
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidine?
The IUPAC name of 4-chloro-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidine (CID 83191317) is 4-chloro-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidine is FC(F)(F)Cc1nc(Cl)c2c(n1)CSC2.
What is the InChIKey of 4-chloro-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidine?
The InChIKey is OFYRKEFCPVEOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3N2S/c9-7-4-2-15-3-5(4)13-6(14-7)1-8(10,11)12/h1-3H2.
What are the key properties of 4-chloro-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidine?
4-chloro-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidine has a molecular weight of 254.66 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidine is sourced from PubChem (CID 83191317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).