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

C9H8ClF3N2S — CID 83196239

IUPAC4-chloro-2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESFC(F)(F)CCc1nc(Cl)c2c(n1)CSC2
InChIInChI=1S/C9H8ClF3N2S/c10-8-5-3-16-4-6(5)14-7(15-8)1-2-9(11,12)13/h1-4H2
InChIKeyCCXUSTIBVFVYDV-UHFFFAOYSA-N
MW268.69 g/mol
LogP3.37
Rot. Bonds2

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

4-chloro-2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidine (PubChem CID 83196239) has the molecular formula C9H8ClF3N2S and a molecular weight of 268.69 g/mol. Its IUPAC name is 4-chloro-2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidine
PubChem CID83196239
Molecular FormulaC9H8ClF3N2S
Molecular Weight268.69 g/mol
Exact Mass268.00
IUPAC Name4-chloro-2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESFC(F)(F)CCc1nc(Cl)c2c(n1)CSC2
InChIInChI=1S/C9H8ClF3N2S/c10-8-5-3-16-4-6(5)14-7(15-8)1-2-9(11,12)13/h1-4H2
InChIKeyCCXUSTIBVFVYDV-UHFFFAOYSA-N
XLogP3.37
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.69
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidine?
The IUPAC name of 4-chloro-2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidine (CID 83196239) is 4-chloro-2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidine is FC(F)(F)CCc1nc(Cl)c2c(n1)CSC2.
What is the InChIKey of 4-chloro-2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidine?
The InChIKey is CCXUSTIBVFVYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3N2S/c10-8-5-3-16-4-6(5)14-7(15-8)1-2-9(11,12)13/h1-4H2.
What are the key properties of 4-chloro-2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidine?
4-chloro-2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidine has a molecular weight of 268.69 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidine is sourced from PubChem (CID 83196239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).