1-[5-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thiophen-2-yl]ethanone

C17H21N3OS — CID 24910974

About 1-[5-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thiophen-2-yl]ethanone

1-[5-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thiophen-2-yl]ethanone (PubChem CID 24910974) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-[5-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thiophen-2-yl]ethanone.

Molecular Properties

• Compound Name: 1-[5-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thiophen-2-yl]ethanone
• PubChem CID: 24910974
• Molecular Formula: C17H21N3OS
• Molecular Weight: 315.44 g/mol
• Exact Mass: 315.14
• IUPAC Name: 1-[5-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thiophen-2-yl]ethanone
• SMILES: CCCc1ncc2c(n1)CCN(Cc1ccc(C(C)=O)s1)C2
• InChI: InChI=1S/C17H21N3OS/c1-3-4-17-18-9-13-10-20(8-7-15(13)19-17)11-14-5-6-16(22-14)12(2)21/h5-6,9H,3-4,7-8,10-11H2,1-2H3
• InChIKey: GKOULQWFIJZROR-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 46.09 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	315.44
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thiophen-2-yl]ethanone?

The IUPAC name of 1-[5-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thiophen-2-yl]ethanone (CID 24910974) is 1-[5-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thiophen-2-yl]ethanone.

What is the SMILES notation for 1-[5-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thiophen-2-yl]ethanone?

The canonical SMILES for 1-[5-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thiophen-2-yl]ethanone is CCCc1ncc2c(n1)CCN(Cc1ccc(C(C)=O)s1)C2.

What is the InChIKey of 1-[5-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thiophen-2-yl]ethanone?

The InChIKey is GKOULQWFIJZROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-3-4-17-18-9-13-10-20(8-7-15(13)19-17)11-14-5-6-16(22-14)12(2)21/h5-6,9H,3-4,7-8,10-11H2,1-2H3.

What are the key properties of 1-[5-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thiophen-2-yl]ethanone?

1-[5-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thiophen-2-yl]ethanone has a molecular weight of 315.44 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thiophen-2-yl]ethanone is sourced from PubChem (CID 24910974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).