2-methyl-5-(5-methylfuran-2-yl)-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one

C16H13N3O2S — CID 711153

IUPAC2-methyl-5-(5-methylfuran-2-yl)-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one
SMILESCc1ccc(-c2csc3nc(C)n(-n4cccc4)c(=O)c23)o1
InChIInChI=1S/C16H13N3O2S/c1-10-5-6-13(21-10)12-9-22-15-14(12)16(20)19(11(2)17-15)18-7-3-4-8-18/h3-9H,1-2H3
InChIKeyHXTYONDTJBEKNC-UHFFFAOYSA-N
MW311.37 g/mol
LogP3.45
Rot. Bonds2

About 2-methyl-5-(5-methylfuran-2-yl)-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one

2-methyl-5-(5-methylfuran-2-yl)-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one (PubChem CID 711153) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is 2-methyl-5-(5-methylfuran-2-yl)-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-5-(5-methylfuran-2-yl)-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one
PubChem CID711153
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC Name2-methyl-5-(5-methylfuran-2-yl)-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one
SMILESCc1ccc(-c2csc3nc(C)n(-n4cccc4)c(=O)c23)o1
InChIInChI=1S/C16H13N3O2S/c1-10-5-6-13(21-10)12-9-22-15-14(12)16(20)19(11(2)17-15)18-7-3-4-8-18/h3-9H,1-2H3
InChIKeyHXTYONDTJBEKNC-UHFFFAOYSA-N
XLogP3.45
TPSA52.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(5-methylfuran-2-yl)-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-methyl-5-(5-methylfuran-2-yl)-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one (CID 711153) is 2-methyl-5-(5-methylfuran-2-yl)-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-5-(5-methylfuran-2-yl)-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-methyl-5-(5-methylfuran-2-yl)-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one is Cc1ccc(-c2csc3nc(C)n(-n4cccc4)c(=O)c23)o1.
What is the InChIKey of 2-methyl-5-(5-methylfuran-2-yl)-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is HXTYONDTJBEKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S/c1-10-5-6-13(21-10)12-9-22-15-14(12)16(20)19(11(2)17-15)18-7-3-4-8-18/h3-9H,1-2H3.
What are the key properties of 2-methyl-5-(5-methylfuran-2-yl)-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one?
2-methyl-5-(5-methylfuran-2-yl)-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 311.37 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(5-methylfuran-2-yl)-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 711153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).