4-ethoxy-2-fluoro-5,7-dihydrothieno[3,4-d]pyrimidine

C8H9FN2OS — CID 172576535

IUPAC4-ethoxy-2-fluoro-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESCCOc1nc(F)nc2c1CSC2
InChIInChI=1S/C8H9FN2OS/c1-2-12-7-5-3-13-4-6(5)10-8(9)11-7/h2-4H2,1H3
InChIKeyGSQCXYAQXSRSPN-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.76
Rot. Bonds2

About 4-ethoxy-2-fluoro-5,7-dihydrothieno[3,4-d]pyrimidine

4-ethoxy-2-fluoro-5,7-dihydrothieno[3,4-d]pyrimidine (PubChem CID 172576535) has the molecular formula C8H9FN2OS and a molecular weight of 200.24 g/mol. Its IUPAC name is 4-ethoxy-2-fluoro-5,7-dihydrothieno[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-ethoxy-2-fluoro-5,7-dihydrothieno[3,4-d]pyrimidine
PubChem CID172576535
Molecular FormulaC8H9FN2OS
Molecular Weight200.24 g/mol
Exact Mass200.04
IUPAC Name4-ethoxy-2-fluoro-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESCCOc1nc(F)nc2c1CSC2
InChIInChI=1S/C8H9FN2OS/c1-2-12-7-5-3-13-4-6(5)10-8(9)11-7/h2-4H2,1H3
InChIKeyGSQCXYAQXSRSPN-UHFFFAOYSA-N
XLogP1.76
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Ethoxy-2,5,6-trimethylpyrimidine
CID 11062766
4-Ethoxy-2-ethylsulfanyl-5-fluoro-6-(trifluoromethyl)pyrimidine
CID 58252365
2-Fluoro-4-propan-2-yloxy-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide
CID 172576482
4-Ethoxy-2-fluoro-5,6-dimethylpyrimidine
CID 172576506
2-Methyl-4-(thiolan-3-yloxy)-6-(trifluoromethyl)pyrimidine
CID 126954265
4-Methoxy-2-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide
CID 11745974
4-Methoxy-2-methyl-5,7-dihydrothieno[3,4-d]pyrimidine
CID 15264187
4-Methyl-2-methylsulfanyl-5,6-dihydrofuro[2,3-d]pyrimidine
CID 10845150
4-Butoxy-5,6-dimethylpyrimidin-2-amine
CID 132206592
4-Ethoxy-5,6-dimethylpyrimidin-2-amine
CID 147862348
4,5-Dimethyl-6-propoxypyrimidin-2-amine
CID 156172341
2-Chloro-4-ethoxy-5,7-dihydrothieno[3,4-d]pyrimidine
CID 172576400

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-fluoro-5,7-dihydrothieno[3,4-d]pyrimidine?
The IUPAC name of 4-ethoxy-2-fluoro-5,7-dihydrothieno[3,4-d]pyrimidine (CID 172576535) is 4-ethoxy-2-fluoro-5,7-dihydrothieno[3,4-d]pyrimidine.
What is the SMILES notation for 4-ethoxy-2-fluoro-5,7-dihydrothieno[3,4-d]pyrimidine?
The canonical SMILES for 4-ethoxy-2-fluoro-5,7-dihydrothieno[3,4-d]pyrimidine is CCOc1nc(F)nc2c1CSC2.
What is the InChIKey of 4-ethoxy-2-fluoro-5,7-dihydrothieno[3,4-d]pyrimidine?
The InChIKey is GSQCXYAQXSRSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2OS/c1-2-12-7-5-3-13-4-6(5)10-8(9)11-7/h2-4H2,1H3.
What are the key properties of 4-ethoxy-2-fluoro-5,7-dihydrothieno[3,4-d]pyrimidine?
4-ethoxy-2-fluoro-5,7-dihydrothieno[3,4-d]pyrimidine has a molecular weight of 200.24 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-fluoro-5,7-dihydrothieno[3,4-d]pyrimidine is sourced from PubChem (CID 172576535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).