6-ethyl-3-[(5-fluoro-2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-one

C16H15FN2O2S — CID 18203155

IUPAC6-ethyl-3-[(5-fluoro-2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)n(Cc3cc(F)ccc3OC)cnc2s1
InChIInChI=1S/C16H15FN2O2S/c1-3-12-7-13-15(22-12)18-9-19(16(13)20)8-10-6-11(17)4-5-14(10)21-2/h4-7,9H,3,8H2,1-2H3
InChIKeyRFTASSGEECJNBB-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.22
Rot. Bonds4

About 6-ethyl-3-[(5-fluoro-2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-one

6-ethyl-3-[(5-fluoro-2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 18203155) has the molecular formula C16H15FN2O2S and a molecular weight of 318.37 g/mol. Its IUPAC name is 6-ethyl-3-[(5-fluoro-2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-ethyl-3-[(5-fluoro-2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-one
PubChem CID18203155
Molecular FormulaC16H15FN2O2S
Molecular Weight318.37 g/mol
Exact Mass318.08
IUPAC Name6-ethyl-3-[(5-fluoro-2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)n(Cc3cc(F)ccc3OC)cnc2s1
InChIInChI=1S/C16H15FN2O2S/c1-3-12-7-13-15(22-12)18-9-19(16(13)20)8-10-6-11(17)4-5-14(10)21-2/h4-7,9H,3,8H2,1-2H3
InChIKeyRFTASSGEECJNBB-UHFFFAOYSA-N
XLogP3.22
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethyl-3-[(6-fluoroquinolin-8-yl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 38838653
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 51216600
7-fluoro-3-[(2-methoxy-5-methylphenyl)methyl]quinazolin-4-one
CID 18099412
3-[2-(2,4-difluorophenyl)-2-oxoethyl]-6-ethylthieno[2,3-d]pyrimidin-4-one
CID 17423371
3-[(2R)-2-(2,5-difluorophenyl)-2-hydroxyethyl]-6-ethylthieno[2,3-d]pyrimidin-4-one
CID 94182767
6-ethyl-3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-one
CID 18203193
3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-one
CID 18203121
N-(2,5-dimethoxyphenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 1194083
6-ethyl-3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]thieno[2,3-d]pyrimidin-4-one
CID 18102690
3-[(2-chloroquinolin-3-yl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-one
CID 35380645
3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-one
CID 75373679
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 35380372

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-[(5-fluoro-2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-ethyl-3-[(5-fluoro-2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-one (CID 18203155) is 6-ethyl-3-[(5-fluoro-2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-ethyl-3-[(5-fluoro-2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-ethyl-3-[(5-fluoro-2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-one is CCc1cc2c(=O)n(Cc3cc(F)ccc3OC)cnc2s1.
What is the InChIKey of 6-ethyl-3-[(5-fluoro-2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is RFTASSGEECJNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2S/c1-3-12-7-13-15(22-12)18-9-19(16(13)20)8-10-6-11(17)4-5-14(10)21-2/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 6-ethyl-3-[(5-fluoro-2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-one?
6-ethyl-3-[(5-fluoro-2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 318.37 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-[(5-fluoro-2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 18203155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).