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

C11H15FN2S — CID 164652100

IUPAC4-fluoro-2-pentan-3-yl-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESCCC(CC)c1nc(F)c2c(n1)CSC2
InChIInChI=1S/C11H15FN2S/c1-3-7(4-2)11-13-9-6-15-5-8(9)10(12)14-11/h7H,3-6H2,1-2H3
InChIKeyKKHQGHRVWCHGIB-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.27
Rot. Bonds3

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

4-fluoro-2-pentan-3-yl-5,7-dihydrothieno[3,4-d]pyrimidine (PubChem CID 164652100) has the molecular formula C11H15FN2S and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-fluoro-2-pentan-3-yl-5,7-dihydrothieno[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-fluoro-2-pentan-3-yl-5,7-dihydrothieno[3,4-d]pyrimidine
PubChem CID164652100
Molecular FormulaC11H15FN2S
Molecular Weight226.32 g/mol
Exact Mass226.09
IUPAC Name4-fluoro-2-pentan-3-yl-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESCCC(CC)c1nc(F)c2c(n1)CSC2
InChIInChI=1S/C11H15FN2S/c1-3-7(4-2)11-13-9-6-15-5-8(9)10(12)14-11/h7H,3-6H2,1-2H3
InChIKeyKKHQGHRVWCHGIB-UHFFFAOYSA-N
XLogP3.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-pentan-3-yl-5,7-dihydrothieno[3,4-d]pyrimidine?
The IUPAC name of 4-fluoro-2-pentan-3-yl-5,7-dihydrothieno[3,4-d]pyrimidine (CID 164652100) is 4-fluoro-2-pentan-3-yl-5,7-dihydrothieno[3,4-d]pyrimidine.
What is the SMILES notation for 4-fluoro-2-pentan-3-yl-5,7-dihydrothieno[3,4-d]pyrimidine?
The canonical SMILES for 4-fluoro-2-pentan-3-yl-5,7-dihydrothieno[3,4-d]pyrimidine is CCC(CC)c1nc(F)c2c(n1)CSC2.
What is the InChIKey of 4-fluoro-2-pentan-3-yl-5,7-dihydrothieno[3,4-d]pyrimidine?
The InChIKey is KKHQGHRVWCHGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2S/c1-3-7(4-2)11-13-9-6-15-5-8(9)10(12)14-11/h7H,3-6H2,1-2H3.
What are the key properties of 4-fluoro-2-pentan-3-yl-5,7-dihydrothieno[3,4-d]pyrimidine?
4-fluoro-2-pentan-3-yl-5,7-dihydrothieno[3,4-d]pyrimidine has a molecular weight of 226.32 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-pentan-3-yl-5,7-dihydrothieno[3,4-d]pyrimidine is sourced from PubChem (CID 164652100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).