2-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thieno[2,3-b]pyridine

C19H16N6S — CID 24917130

About 2-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thieno[2,3-b]pyridine

2-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thieno[2,3-b]pyridine (PubChem CID 24917130) has the molecular formula C19H16N6S and a molecular weight of 360.45 g/mol. Its IUPAC name is 2-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thieno[2,3-b]pyridine.

Molecular Properties

• Compound Name: 2-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thieno[2,3-b]pyridine
• PubChem CID: 24917130
• Molecular Formula: C19H16N6S
• Molecular Weight: 360.45 g/mol
• Exact Mass: 360.12
• IUPAC Name: 2-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thieno[2,3-b]pyridine
• SMILES: c1cnc2sc(CN3CCc4nc(-c5cncnc5)ncc4C3)cc2c1
• InChI: InChI=1S/C19H16N6S/c1-2-13-6-16(26-19(13)22-4-1)11-25-5-3-17-15(10-25)9-23-18(24-17)14-7-20-12-21-8-14/h1-2,4,6-9,12H,3,5,10-11H2
• InChIKey: ODDYVIUGVAGHRP-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 67.69 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.45
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thieno[2,3-b]pyridine?

The IUPAC name of 2-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thieno[2,3-b]pyridine (CID 24917130) is 2-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thieno[2,3-b]pyridine.

What is the SMILES notation for 2-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thieno[2,3-b]pyridine?

The canonical SMILES for 2-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thieno[2,3-b]pyridine is c1cnc2sc(CN3CCc4nc(-c5cncnc5)ncc4C3)cc2c1.

What is the InChIKey of 2-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thieno[2,3-b]pyridine?

The InChIKey is ODDYVIUGVAGHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6S/c1-2-13-6-16(26-19(13)22-4-1)11-25-5-3-17-15(10-25)9-23-18(24-17)14-7-20-12-21-8-14/h1-2,4,6-9,12H,3,5,10-11H2.

What are the key properties of 2-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thieno[2,3-b]pyridine?

2-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thieno[2,3-b]pyridine has a molecular weight of 360.45 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thieno[2,3-b]pyridine is sourced from PubChem (CID 24917130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).