2-[(1R)-1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

C19H19N3OS3 — CID 9023237

About 2-[(1R)-1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

2-[(1R)-1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 9023237) has the molecular formula C19H19N3OS3 and a molecular weight of 401.58 g/mol. Its IUPAC name is 2-[(1R)-1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-[(1R)-1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
• PubChem CID: 9023237
• Molecular Formula: C19H19N3OS3
• Molecular Weight: 401.58 g/mol
• Exact Mass: 401.07
• IUPAC Name: 2-[(1R)-1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
• SMILES: Cc1ccsc1CN(C)[C@H](C)c1nc2scc(-c3cccs3)c2c(=O)[nH]1
• InChI: InChI=1S/C19H19N3OS3/c1-11-6-8-25-15(11)9-22(3)12(2)17-20-18(23)16-13(10-26-19(16)21-17)14-5-4-7-24-14/h4-8,10,12H,9H2,1-3H3,(H,20,21,23)/t12-/m1/s1
• InChIKey: ZHGVZMFYOOMERM-GFCCVEGCSA-N
• XLogP: 5.28
• TPSA: 48.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	401.58
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?

The IUPAC name of 2-[(1R)-1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one (CID 9023237) is 2-[(1R)-1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one.

What is the SMILES notation for 2-[(1R)-1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?

The canonical SMILES for 2-[(1R)-1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one is Cc1ccsc1CN(C)[C@H](C)c1nc2scc(-c3cccs3)c2c(=O)[nH]1.

What is the InChIKey of 2-[(1R)-1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?

The InChIKey is ZHGVZMFYOOMERM-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H19N3OS3/c1-11-6-8-25-15(11)9-22(3)12(2)17-20-18(23)16-13(10-26-19(16)21-17)14-5-4-7-24-14/h4-8,10,12H,9H2,1-3H3,(H,20,21,23)/t12-/m1/s1.

What are the key properties of 2-[(1R)-1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?

2-[(1R)-1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 401.58 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1R)-1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 9023237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).