3-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyridin-2-amine

C19H19N5 — CID 24911662

About 3-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyridin-2-amine

3-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyridin-2-amine (PubChem CID 24911662) has the molecular formula C19H19N5 and a molecular weight of 317.40 g/mol. Its IUPAC name is 3-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyridin-2-amine.

Molecular Properties

• Compound Name: 3-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyridin-2-amine
• PubChem CID: 24911662
• Molecular Formula: C19H19N5
• Molecular Weight: 317.40 g/mol
• Exact Mass: 317.16
• IUPAC Name: 3-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyridin-2-amine
• SMILES: Nc1ncccc1CN1CCc2nc(-c3ccccc3)ncc2C1
• InChI: InChI=1S/C19H19N5/c20-18-15(7-4-9-21-18)12-24-10-8-17-16(13-24)11-22-19(23-17)14-5-2-1-3-6-14/h1-7,9,11H,8,10,12-13H2,(H2,20,21)
• InChIKey: AZUCCLBFAONLKI-UHFFFAOYSA-N
• XLogP: 2.68
• TPSA: 67.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	317.40
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyridin-2-amine (CID 24911662) is 3-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyridin-2-amine.

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

The canonical SMILES for 3-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyridin-2-amine is Nc1ncccc1CN1CCc2nc(-c3ccccc3)ncc2C1.

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

The InChIKey is AZUCCLBFAONLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5/c20-18-15(7-4-9-21-18)12-24-10-8-17-16(13-24)11-22-19(23-17)14-5-2-1-3-6-14/h1-7,9,11H,8,10,12-13H2,(H2,20,21).

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

3-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyridin-2-amine has a molecular weight of 317.40 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 24911662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).