(4-fluorophenyl)-(4-methoxythieno[3,4-d]pyrimidin-2-yl)methanone

C14H9FN2O2S — CID 66610446

IUPAC(4-fluorophenyl)-(4-methoxythieno[3,4-d]pyrimidin-2-yl)methanone
SMILESCOc1nc(C(=O)c2ccc(F)cc2)nc2cscc12
InChIInChI=1S/C14H9FN2O2S/c1-19-14-10-6-20-7-11(10)16-13(17-14)12(18)8-2-4-9(15)5-3-8/h2-7H,1H3
InChIKeyHWHNNZSWXYSYCK-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.07
Rot. Bonds3

About (4-fluorophenyl)-(4-methoxythieno[3,4-d]pyrimidin-2-yl)methanone

(4-fluorophenyl)-(4-methoxythieno[3,4-d]pyrimidin-2-yl)methanone (PubChem CID 66610446) has the molecular formula C14H9FN2O2S and a molecular weight of 288.30 g/mol. Its IUPAC name is (4-fluorophenyl)-(4-methoxythieno[3,4-d]pyrimidin-2-yl)methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-(4-methoxythieno[3,4-d]pyrimidin-2-yl)methanone
PubChem CID66610446
Molecular FormulaC14H9FN2O2S
Molecular Weight288.30 g/mol
Exact Mass288.04
IUPAC Name(4-fluorophenyl)-(4-methoxythieno[3,4-d]pyrimidin-2-yl)methanone
SMILESCOc1nc(C(=O)c2ccc(F)cc2)nc2cscc12
InChIInChI=1S/C14H9FN2O2S/c1-19-14-10-6-20-7-11(10)16-13(17-14)12(18)8-2-4-9(15)5-3-8/h2-7H,1H3
InChIKeyHWHNNZSWXYSYCK-UHFFFAOYSA-N
XLogP3.07
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(4-methoxythieno[3,4-d]pyrimidin-2-yl)methanone?
The IUPAC name of (4-fluorophenyl)-(4-methoxythieno[3,4-d]pyrimidin-2-yl)methanone (CID 66610446) is (4-fluorophenyl)-(4-methoxythieno[3,4-d]pyrimidin-2-yl)methanone.
What is the SMILES notation for (4-fluorophenyl)-(4-methoxythieno[3,4-d]pyrimidin-2-yl)methanone?
The canonical SMILES for (4-fluorophenyl)-(4-methoxythieno[3,4-d]pyrimidin-2-yl)methanone is COc1nc(C(=O)c2ccc(F)cc2)nc2cscc12.
What is the InChIKey of (4-fluorophenyl)-(4-methoxythieno[3,4-d]pyrimidin-2-yl)methanone?
The InChIKey is HWHNNZSWXYSYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O2S/c1-19-14-10-6-20-7-11(10)16-13(17-14)12(18)8-2-4-9(15)5-3-8/h2-7H,1H3.
What are the key properties of (4-fluorophenyl)-(4-methoxythieno[3,4-d]pyrimidin-2-yl)methanone?
(4-fluorophenyl)-(4-methoxythieno[3,4-d]pyrimidin-2-yl)methanone has a molecular weight of 288.30 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(4-methoxythieno[3,4-d]pyrimidin-2-yl)methanone is sourced from PubChem (CID 66610446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).