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

C10H11ClF2N2OS — CID 103146744

IUPAC4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESFC(F)COCCc1nc(Cl)c2c(n1)CSC2
InChIInChI=1S/C10H11ClF2N2OS/c11-10-6-4-17-5-7(6)14-9(15-10)1-2-16-3-8(12)13/h8H,1-5H2
InChIKeyHUFLOSORBOPOIE-UHFFFAOYSA-N
MW280.73 g/mol
LogP2.70
Rot. Bonds5

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

4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidine (PubChem CID 103146744) has the molecular formula C10H11ClF2N2OS and a molecular weight of 280.73 g/mol. Its IUPAC name is 4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidine
PubChem CID103146744
Molecular FormulaC10H11ClF2N2OS
Molecular Weight280.73 g/mol
Exact Mass280.02
IUPAC Name4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESFC(F)COCCc1nc(Cl)c2c(n1)CSC2
InChIInChI=1S/C10H11ClF2N2OS/c11-10-6-4-17-5-7(6)14-9(15-10)1-2-16-3-8(12)13/h8H,1-5H2
InChIKeyHUFLOSORBOPOIE-UHFFFAOYSA-N
XLogP2.70
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidine?
The IUPAC name of 4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidine (CID 103146744) is 4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidine?
The canonical SMILES for 4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidine is FC(F)COCCc1nc(Cl)c2c(n1)CSC2.
What is the InChIKey of 4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidine?
The InChIKey is HUFLOSORBOPOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF2N2OS/c11-10-6-4-17-5-7(6)14-9(15-10)1-2-16-3-8(12)13/h8H,1-5H2.
What are the key properties of 4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidine?
4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidine has a molecular weight of 280.73 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidine is sourced from PubChem (CID 103146744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).