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

C16H16N2O2S — CID 2423760

IUPAC6-ethyl-2-[(4-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)[nH]c(Cc3ccc(OC)cc3)nc2s1
InChIInChI=1S/C16H16N2O2S/c1-3-12-9-13-15(19)17-14(18-16(13)21-12)8-10-4-6-11(20-2)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,17,18,19)
InChIKeyYOJJLMUQMUVDFA-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.15
Rot. Bonds4

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

6-ethyl-2-[(4-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 2423760) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 6-ethyl-2-[(4-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-ethyl-2-[(4-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID2423760
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name6-ethyl-2-[(4-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)[nH]c(Cc3ccc(OC)cc3)nc2s1
InChIInChI=1S/C16H16N2O2S/c1-3-12-9-13-15(19)17-14(18-16(13)21-12)8-10-4-6-11(20-2)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,17,18,19)
InChIKeyYOJJLMUQMUVDFA-UHFFFAOYSA-N
XLogP3.15
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-[(4-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-ethyl-2-[(4-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one (CID 2423760) is 6-ethyl-2-[(4-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-ethyl-2-[(4-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-ethyl-2-[(4-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one is CCc1cc2c(=O)[nH]c(Cc3ccc(OC)cc3)nc2s1.
What is the InChIKey of 6-ethyl-2-[(4-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is YOJJLMUQMUVDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-3-12-9-13-15(19)17-14(18-16(13)21-12)8-10-4-6-11(20-2)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,17,18,19).
What are the key properties of 6-ethyl-2-[(4-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
6-ethyl-2-[(4-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 300.38 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-[(4-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 2423760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).