3-(2,5-dimethylpyrrol-1-yl)-5-(4-methoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-one

C20H19N3O2S — CID 982626

IUPAC3-(2,5-dimethylpyrrol-1-yl)-5-(4-methoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-one
SMILESCOc1ccc(-c2csc3nc(C)n(-n4c(C)ccc4C)c(=O)c23)cc1
InChIInChI=1S/C20H19N3O2S/c1-12-5-6-13(2)22(12)23-14(3)21-19-18(20(23)24)17(11-26-19)15-7-9-16(25-4)10-8-15/h5-11H,1-4H3
InChIKeyCDCSJNMAPZLOBR-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.17
Rot. Bonds3

About 3-(2,5-dimethylpyrrol-1-yl)-5-(4-methoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-one

3-(2,5-dimethylpyrrol-1-yl)-5-(4-methoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-one (PubChem CID 982626) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 3-(2,5-dimethylpyrrol-1-yl)-5-(4-methoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2,5-dimethylpyrrol-1-yl)-5-(4-methoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-one
PubChem CID982626
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name3-(2,5-dimethylpyrrol-1-yl)-5-(4-methoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-one
SMILESCOc1ccc(-c2csc3nc(C)n(-n4c(C)ccc4C)c(=O)c23)cc1
InChIInChI=1S/C20H19N3O2S/c1-12-5-6-13(2)22(12)23-14(3)21-19-18(20(23)24)17(11-26-19)15-7-9-16(25-4)10-8-15/h5-11H,1-4H3
InChIKeyCDCSJNMAPZLOBR-UHFFFAOYSA-N
XLogP4.17
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylpyrrol-1-yl)-5-(4-methoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-(2,5-dimethylpyrrol-1-yl)-5-(4-methoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-one (CID 982626) is 3-(2,5-dimethylpyrrol-1-yl)-5-(4-methoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2,5-dimethylpyrrol-1-yl)-5-(4-methoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-(2,5-dimethylpyrrol-1-yl)-5-(4-methoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-one is COc1ccc(-c2csc3nc(C)n(-n4c(C)ccc4C)c(=O)c23)cc1.
What is the InChIKey of 3-(2,5-dimethylpyrrol-1-yl)-5-(4-methoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is CDCSJNMAPZLOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-12-5-6-13(2)22(12)23-14(3)21-19-18(20(23)24)17(11-26-19)15-7-9-16(25-4)10-8-15/h5-11H,1-4H3.
What are the key properties of 3-(2,5-dimethylpyrrol-1-yl)-5-(4-methoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-one?
3-(2,5-dimethylpyrrol-1-yl)-5-(4-methoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 365.46 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylpyrrol-1-yl)-5-(4-methoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 982626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).