2-fluoro-4-propan-2-yloxy-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide

C9H11FN2O3S — CID 172576482

IUPAC2-fluoro-4-propan-2-yloxy-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide
SMILESCC(C)Oc1nc(F)nc2c1CS(=O)(=O)C2
InChIInChI=1S/C9H11FN2O3S/c1-5(2)15-8-6-3-16(13,14)4-7(6)11-9(10)12-8/h5H,3-4H2,1-2H3
InChIKeyUKTOOMKVKZPODP-UHFFFAOYSA-N
MW246.26 g/mol
LogP0.83
Rot. Bonds2

About 2-fluoro-4-propan-2-yloxy-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide

2-fluoro-4-propan-2-yloxy-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide (PubChem CID 172576482) has the molecular formula C9H11FN2O3S and a molecular weight of 246.26 g/mol. Its IUPAC name is 2-fluoro-4-propan-2-yloxy-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide.

Molecular Properties

Compound Name2-fluoro-4-propan-2-yloxy-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide
PubChem CID172576482
Molecular FormulaC9H11FN2O3S
Molecular Weight246.26 g/mol
Exact Mass246.05
IUPAC Name2-fluoro-4-propan-2-yloxy-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide
SMILESCC(C)Oc1nc(F)nc2c1CS(=O)(=O)C2
InChIInChI=1S/C9H11FN2O3S/c1-5(2)15-8-6-3-16(13,14)4-7(6)11-9(10)12-8/h5H,3-4H2,1-2H3
InChIKeyUKTOOMKVKZPODP-UHFFFAOYSA-N
XLogP0.83
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-propan-2-yloxy-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide?
The IUPAC name of 2-fluoro-4-propan-2-yloxy-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide (CID 172576482) is 2-fluoro-4-propan-2-yloxy-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide.
What is the SMILES notation for 2-fluoro-4-propan-2-yloxy-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide?
The canonical SMILES for 2-fluoro-4-propan-2-yloxy-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide is CC(C)Oc1nc(F)nc2c1CS(=O)(=O)C2.
What is the InChIKey of 2-fluoro-4-propan-2-yloxy-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide?
The InChIKey is UKTOOMKVKZPODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O3S/c1-5(2)15-8-6-3-16(13,14)4-7(6)11-9(10)12-8/h5H,3-4H2,1-2H3.
What are the key properties of 2-fluoro-4-propan-2-yloxy-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide?
2-fluoro-4-propan-2-yloxy-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide has a molecular weight of 246.26 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-propan-2-yloxy-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide is sourced from PubChem (CID 172576482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).