4-fluoro-2-(2-methylsulfanylethyl)-5,7-dihydrothieno[3,4-d]pyrimidine

C9H11FN2S2 — CID 164652105

IUPAC4-fluoro-2-(2-methylsulfanylethyl)-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESCSCCc1nc(F)c2c(n1)CSC2
InChIInChI=1S/C9H11FN2S2/c1-13-3-2-8-11-7-5-14-4-6(7)9(10)12-8/h2-5H2,1H3
InChIKeyHVMPBGJOECAOGB-UHFFFAOYSA-N
MW230.33 g/mol
LogP2.27
Rot. Bonds3

About 4-fluoro-2-(2-methylsulfanylethyl)-5,7-dihydrothieno[3,4-d]pyrimidine

4-fluoro-2-(2-methylsulfanylethyl)-5,7-dihydrothieno[3,4-d]pyrimidine (PubChem CID 164652105) has the molecular formula C9H11FN2S2 and a molecular weight of 230.33 g/mol. Its IUPAC name is 4-fluoro-2-(2-methylsulfanylethyl)-5,7-dihydrothieno[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-fluoro-2-(2-methylsulfanylethyl)-5,7-dihydrothieno[3,4-d]pyrimidine
PubChem CID164652105
Molecular FormulaC9H11FN2S2
Molecular Weight230.33 g/mol
Exact Mass230.03
IUPAC Name4-fluoro-2-(2-methylsulfanylethyl)-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESCSCCc1nc(F)c2c(n1)CSC2
InChIInChI=1S/C9H11FN2S2/c1-13-3-2-8-11-7-5-14-4-6(7)9(10)12-8/h2-5H2,1H3
InChIKeyHVMPBGJOECAOGB-UHFFFAOYSA-N
XLogP2.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(2-methylsulfanylethyl)-5,7-dihydrothieno[3,4-d]pyrimidine?
The IUPAC name of 4-fluoro-2-(2-methylsulfanylethyl)-5,7-dihydrothieno[3,4-d]pyrimidine (CID 164652105) is 4-fluoro-2-(2-methylsulfanylethyl)-5,7-dihydrothieno[3,4-d]pyrimidine.
What is the SMILES notation for 4-fluoro-2-(2-methylsulfanylethyl)-5,7-dihydrothieno[3,4-d]pyrimidine?
The canonical SMILES for 4-fluoro-2-(2-methylsulfanylethyl)-5,7-dihydrothieno[3,4-d]pyrimidine is CSCCc1nc(F)c2c(n1)CSC2.
What is the InChIKey of 4-fluoro-2-(2-methylsulfanylethyl)-5,7-dihydrothieno[3,4-d]pyrimidine?
The InChIKey is HVMPBGJOECAOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2S2/c1-13-3-2-8-11-7-5-14-4-6(7)9(10)12-8/h2-5H2,1H3.
What are the key properties of 4-fluoro-2-(2-methylsulfanylethyl)-5,7-dihydrothieno[3,4-d]pyrimidine?
4-fluoro-2-(2-methylsulfanylethyl)-5,7-dihydrothieno[3,4-d]pyrimidine has a molecular weight of 230.33 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(2-methylsulfanylethyl)-5,7-dihydrothieno[3,4-d]pyrimidine is sourced from PubChem (CID 164652105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).