methyl 2-[[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]furan-3-carboxylate

C19H13FN2O4S — CID 31064769

IUPACmethyl 2-[[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O
InChIInChI=1S/C19H13FN2O4S/c1-25-19(24)13-6-7-26-15(13)8-22-10-21-17-16(18(22)23)14(9-27-17)11-2-4-12(20)5-3-11/h2-7,9-10H,8H2,1H3
InChIKeyMFJFNTDKSGEGJD-UHFFFAOYSA-N
MW384.39 g/mol
LogP3.69
Rot. Bonds4

About methyl 2-[[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]furan-3-carboxylate

methyl 2-[[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]furan-3-carboxylate (PubChem CID 31064769) has the molecular formula C19H13FN2O4S and a molecular weight of 384.39 g/mol. Its IUPAC name is methyl 2-[[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]furan-3-carboxylate
PubChem CID31064769
Molecular FormulaC19H13FN2O4S
Molecular Weight384.39 g/mol
Exact Mass384.06
IUPAC Namemethyl 2-[[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O
InChIInChI=1S/C19H13FN2O4S/c1-25-19(24)13-6-7-26-15(13)8-22-10-21-17-16(18(22)23)14(9-27-17)11-2-4-12(20)5-3-11/h2-7,9-10H,8H2,1H3
InChIKeyMFJFNTDKSGEGJD-UHFFFAOYSA-N
XLogP3.69
TPSA74.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]furan-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-[[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]furan-3-carboxylate (CID 31064769) is methyl 2-[[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-[[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-[[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]furan-3-carboxylate is COC(=O)c1ccoc1Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O.
What is the InChIKey of methyl 2-[[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]furan-3-carboxylate?
The InChIKey is MFJFNTDKSGEGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O4S/c1-25-19(24)13-6-7-26-15(13)8-22-10-21-17-16(18(22)23)14(9-27-17)11-2-4-12(20)5-3-11/h2-7,9-10H,8H2,1H3.
What are the key properties of methyl 2-[[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]furan-3-carboxylate?
methyl 2-[[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]furan-3-carboxylate has a molecular weight of 384.39 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]furan-3-carboxylate is sourced from PubChem (CID 31064769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).