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

C22H26N6O2 — CID 155525971

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

N-(2-methoxyethyl)-4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]pyridin-2-amine (PubChem CID 155525971) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: N-(2-methoxyethyl)-4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]pyridin-2-amine
• PubChem CID: 155525971
• Molecular Formula: C22H26N6O2
• Molecular Weight: 406.49 g/mol
• Exact Mass: 406.21
• IUPAC Name: N-(2-methoxyethyl)-4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]pyridin-2-amine
• SMILES: COCCNc1cc(-c2ncnc3c2CN(c2cnc(OC)c(C)c2)CC3)ccn1
• InChI: InChI=1S/C22H26N6O2/c1-15-10-17(12-25-22(15)30-3)28-8-5-19-18(13-28)21(27-14-26-19)16-4-6-23-20(11-16)24-7-9-29-2/h4,6,10-12,14H,5,7-9,13H2,1-3H3,(H,23,24)
• InChIKey: PULTUFUBMYMXSU-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 85.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.49
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-(2-methoxyethyl)-4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]pyridin-2-amine (CID 155525971) is N-(2-methoxyethyl)-4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]pyridin-2-amine.

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

The canonical SMILES for N-(2-methoxyethyl)-4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]pyridin-2-amine is COCCNc1cc(-c2ncnc3c2CN(c2cnc(OC)c(C)c2)CC3)ccn1.

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

The InChIKey is PULTUFUBMYMXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-15-10-17(12-25-22(15)30-3)28-8-5-19-18(13-28)21(27-14-26-19)16-4-6-23-20(11-16)24-7-9-29-2/h4,6,10-12,14H,5,7-9,13H2,1-3H3,(H,23,24).

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

N-(2-methoxyethyl)-4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]pyridin-2-amine has a molecular weight of 406.49 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyethyl)-4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]pyridin-2-amine is sourced from PubChem (CID 155525971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).