6-(4-fluoro-3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one

C13H9FN2OS — CID 135984652

IUPAC6-(4-fluoro-3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1cc(-c2cc3nc[nH]c(=O)c3s2)ccc1F
InChIInChI=1S/C13H9FN2OS/c1-7-4-8(2-3-9(7)14)11-5-10-12(18-11)13(17)16-6-15-10/h2-6H,1H3,(H,15,16,17)
InChIKeyDQKSFIKVEJMPQM-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.10
Rot. Bonds1

About 6-(4-fluoro-3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one

6-(4-fluoro-3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 135984652) has the molecular formula C13H9FN2OS and a molecular weight of 260.29 g/mol. Its IUPAC name is 6-(4-fluoro-3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-fluoro-3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID135984652
Molecular FormulaC13H9FN2OS
Molecular Weight260.29 g/mol
Exact Mass260.04
IUPAC Name6-(4-fluoro-3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1cc(-c2cc3nc[nH]c(=O)c3s2)ccc1F
InChIInChI=1S/C13H9FN2OS/c1-7-4-8(2-3-9(7)14)11-5-10-12(18-11)13(17)16-6-15-10/h2-6H,1H3,(H,15,16,17)
InChIKeyDQKSFIKVEJMPQM-UHFFFAOYSA-N
XLogP3.10
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-fluorophenyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 135463111
6-[4-(trifluoromethoxy)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136941685
6-(2-bromo-5-chlorophenyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 136890193
6-(2-bromo-5-iodophenyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 136890194
6-(4-fluoro-2-nitrophenyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 136914259
6-(2-bromofuran-3-yl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 136673922
4-(4-fluoro-3-methylanilino)-5-iodo-1H-pyrimidin-6-one
CID 136971250
6-(4-fluoro-3-methylphenyl)pyrimidine-4-carbaldehyde
CID 116857699
6-(4-fluorophenyl)-8-methyl-3H-quinazolin-4-one
CID 155354014
6-(4-fluorophenyl)-2-(4-methylthiophen-3-yl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 139012800
4-chloro-6-(3,4-difluorophenyl)thieno[3,2-d]pyrimidine
CID 43332794
6-(4-chlorophenyl)-3H-thieno[3,2-d]triazin-4-one
CID 141223112

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-(4-fluoro-3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one (CID 135984652) is 6-(4-fluoro-3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-(4-fluoro-3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-(4-fluoro-3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one is Cc1cc(-c2cc3nc[nH]c(=O)c3s2)ccc1F.
What is the InChIKey of 6-(4-fluoro-3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is DQKSFIKVEJMPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2OS/c1-7-4-8(2-3-9(7)14)11-5-10-12(18-11)13(17)16-6-15-10/h2-6H,1H3,(H,15,16,17).
What are the key properties of 6-(4-fluoro-3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one?
6-(4-fluoro-3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 260.29 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135984652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).