(4-fluorophenyl)methyl 1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate

C14H13FN2O2S — CID 142851214

IUPAC(4-fluorophenyl)methyl 1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate
SMILESO=C(OCc1ccc(F)cc1)c1cc2c(s1)NCNC2
InChIInChI=1S/C14H13FN2O2S/c15-11-3-1-9(2-4-11)7-19-14(18)12-5-10-6-16-8-17-13(10)20-12/h1-5,16-17H,6-8H2
InChIKeyOMUZGXLUMSNJEI-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.72
Rot. Bonds3

About (4-fluorophenyl)methyl 1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate

(4-fluorophenyl)methyl 1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 142851214) has the molecular formula C14H13FN2O2S and a molecular weight of 292.33 g/mol. Its IUPAC name is (4-fluorophenyl)methyl 1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl 1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID142851214
Molecular FormulaC14H13FN2O2S
Molecular Weight292.33 g/mol
Exact Mass292.07
IUPAC Name(4-fluorophenyl)methyl 1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate
SMILESO=C(OCc1ccc(F)cc1)c1cc2c(s1)NCNC2
InChIInChI=1S/C14H13FN2O2S/c15-11-3-1-9(2-4-11)7-19-14(18)12-5-10-6-16-8-17-13(10)20-12/h1-5,16-17H,6-8H2
InChIKeyOMUZGXLUMSNJEI-UHFFFAOYSA-N
XLogP2.72
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl 1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of (4-fluorophenyl)methyl 1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate (CID 142851214) is (4-fluorophenyl)methyl 1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for (4-fluorophenyl)methyl 1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for (4-fluorophenyl)methyl 1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate is O=C(OCc1ccc(F)cc1)c1cc2c(s1)NCNC2.
What is the InChIKey of (4-fluorophenyl)methyl 1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is OMUZGXLUMSNJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2S/c15-11-3-1-9(2-4-11)7-19-14(18)12-5-10-6-16-8-17-13(10)20-12/h1-5,16-17H,6-8H2.
What are the key properties of (4-fluorophenyl)methyl 1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate?
(4-fluorophenyl)methyl 1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 292.33 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl 1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 142851214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).