7-amino-5-thiophen-3-yl-3H-pyrido[4,3-d]pyrimidin-4-one

C₁₁H₈N₄OS — CID 135542040

About 7-amino-5-thiophen-3-yl-3H-pyrido[4,3-d]pyrimidin-4-one

7-amino-5-thiophen-3-yl-3H-pyrido[4,3-d]pyrimidin-4-one (PubChem CID 135542040) has the molecular formula C₁₁H₈N₄OS and a molecular weight of 244.28 g/mol. Its IUPAC name is 7-amino-5-thiophen-3-yl-3H-pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-amino-5-thiophen-3-yl-3H-pyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 135542040
• Molecular Formula: C₁₁H₈N₄OS
• Molecular Weight: 244.28 g/mol
• Exact Mass: 244.04
• IUPAC Name: 7-amino-5-thiophen-3-yl-3H-pyrido[4,3-d]pyrimidin-4-one
• SMILES: Nc1cc2nc[nH]c(=O)c2c(-c2ccsc2)n1
• InChI: InChI=1S/C11H8N4OS/c12-8-3-7-9(11(16)14-5-13-7)10(15-8)6-1-2-17-4-6/h1-5H,(H2,12,15)(H,13,14,16)
• InChIKey: UBFISQAOZQFWEQ-UHFFFAOYSA-N
• XLogP: 1.63
• TPSA: 84.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	244.28
LogP ≤ 5	1.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-amino-5-thiophen-3-yl-3H-pyrido[4,3-d]pyrimidin-4-one?

The IUPAC name of 7-amino-5-thiophen-3-yl-3H-pyrido[4,3-d]pyrimidin-4-one (CID 135542040) is 7-amino-5-thiophen-3-yl-3H-pyrido[4,3-d]pyrimidin-4-one.

What is the SMILES notation for 7-amino-5-thiophen-3-yl-3H-pyrido[4,3-d]pyrimidin-4-one?

The canonical SMILES for 7-amino-5-thiophen-3-yl-3H-pyrido[4,3-d]pyrimidin-4-one is Nc1cc2nc[nH]c(=O)c2c(-c2ccsc2)n1.

What is the InChIKey of 7-amino-5-thiophen-3-yl-3H-pyrido[4,3-d]pyrimidin-4-one?

The InChIKey is UBFISQAOZQFWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4OS/c12-8-3-7-9(11(16)14-5-13-7)10(15-8)6-1-2-17-4-6/h1-5H,(H2,12,15)(H,13,14,16).

What are the key properties of 7-amino-5-thiophen-3-yl-3H-pyrido[4,3-d]pyrimidin-4-one?

7-amino-5-thiophen-3-yl-3H-pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 244.28 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-amino-5-thiophen-3-yl-3H-pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135542040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 135542040 — identifiers, structure, computed properties (public domain)

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