1-[2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-3-phenylpropan-1-one

C21H26N4O — CID 110240811

About 1-[2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-3-phenylpropan-1-one

1-[2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-3-phenylpropan-1-one (PubChem CID 110240811) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 1-[2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

• Compound Name: 1-[2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-3-phenylpropan-1-one
• PubChem CID: 110240811
• Molecular Formula: C21H26N4O
• Molecular Weight: 350.47 g/mol
• Exact Mass: 350.21
• IUPAC Name: 1-[2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-3-phenylpropan-1-one
• SMILES: CN1CCc2nc(C3CCCN3C(=O)CCc3ccccc3)ncc2C1
• InChI: InChI=1S/C21H26N4O/c1-24-13-11-18-17(15-24)14-22-21(23-18)19-8-5-12-25(19)20(26)10-9-16-6-3-2-4-7-16/h2-4,6-7,14,19H,5,8-13,15H2,1H3
• InChIKey: PTIRWDQFXQABOQ-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 49.33 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.47
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-[2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-3-phenylpropan-1-one (CID 110240811) is 1-[2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-3-phenylpropan-1-one.

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

The canonical SMILES for 1-[2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-3-phenylpropan-1-one is CN1CCc2nc(C3CCCN3C(=O)CCc3ccccc3)ncc2C1.

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

The InChIKey is PTIRWDQFXQABOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-24-13-11-18-17(15-24)14-22-21(23-18)19-8-5-12-25(19)20(26)10-9-16-6-3-2-4-7-16/h2-4,6-7,14,19H,5,8-13,15H2,1H3.

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

1-[2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 350.47 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 110240811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).