2-methyl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

C11H8N2OS2 — CID 3301641

IUPAC2-methyl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1nc2scc(-c3cccs3)c2c(=O)[nH]1
InChIInChI=1S/C11H8N2OS2/c1-6-12-10(14)9-7(5-16-11(9)13-6)8-3-2-4-15-8/h2-5H,1H3,(H,12,13,14)
InChIKeySVVXRASHNTXIFF-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.02
Rot. Bonds1

About 2-methyl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

2-methyl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 3301641) has the molecular formula C11H8N2OS2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-methyl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID3301641
Molecular FormulaC11H8N2OS2
Molecular Weight248.33 g/mol
Exact Mass248.01
IUPAC Name2-methyl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1nc2scc(-c3cccs3)c2c(=O)[nH]1
InChIInChI=1S/C11H8N2OS2/c1-6-12-10(14)9-7(5-16-11(9)13-6)8-3-2-4-15-8/h2-5H,1H3,(H,12,13,14)
InChIKeySVVXRASHNTXIFF-UHFFFAOYSA-N
XLogP3.02
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-methyl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one (CID 3301641) is 2-methyl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-methyl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one is Cc1nc2scc(-c3cccs3)c2c(=O)[nH]1.
What is the InChIKey of 2-methyl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is SVVXRASHNTXIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2OS2/c1-6-12-10(14)9-7(5-16-11(9)13-6)8-3-2-4-15-8/h2-5H,1H3,(H,12,13,14).
What are the key properties of 2-methyl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
2-methyl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 248.33 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 3301641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).