6-[4-(aminodiazenyl)-2-ethyl-1,2-dihydropyridin-6-yl]-2-(1,4-dihydropyrimidin-2-yl)-5-methyl-5,7,8,8a-tetrahydro-3H-pyrido[4,3-d]pyrimidine

C19H27N9 — CID 122681089

About 6-[4-(aminodiazenyl)-2-ethyl-1,2-dihydropyridin-6-yl]-2-(1,4-dihydropyrimidin-2-yl)-5-methyl-5,7,8,8a-tetrahydro-3H-pyrido[4,3-d]pyrimidine

6-[4-(aminodiazenyl)-2-ethyl-1,2-dihydropyridin-6-yl]-2-(1,4-dihydropyrimidin-2-yl)-5-methyl-5,7,8,8a-tetrahydro-3H-pyrido[4,3-d]pyrimidine (PubChem CID 122681089) has the molecular formula C19H27N9 and a molecular weight of 381.49 g/mol. Its IUPAC name is 6-[4-(aminodiazenyl)-2-ethyl-1,2-dihydropyridin-6-yl]-2-(1,4-dihydropyrimidin-2-yl)-5-methyl-5,7,8,8a-tetrahydro-3H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[4-(aminodiazenyl)-2-ethyl-1,2-dihydropyridin-6-yl]-2-(1,4-dihydropyrimidin-2-yl)-5-methyl-5,7,8,8a-tetrahydro-3H-pyrido[4,3-d]pyrimidine
• PubChem CID: 122681089
• Molecular Formula: C19H27N9
• Molecular Weight: 381.49 g/mol
• Exact Mass: 381.24
• IUPAC Name: 6-[4-(aminodiazenyl)-2-ethyl-1,2-dihydropyridin-6-yl]-2-(1,4-dihydropyrimidin-2-yl)-5-methyl-5,7,8,8a-tetrahydro-3H-pyrido[4,3-d]pyrimidine
• SMILES: CCC1C=C(/N=N/N)C=C(N2CCC3N=C(C4=NCC=CN4)NC=C3C2C)N1
• InChI: InChI=1S/C19H27N9/c1-3-13-9-14(26-27-20)10-17(24-13)28-8-5-16-15(12(28)2)11-23-19(25-16)18-21-6-4-7-22-18/h4,6,9-13,16,24H,3,5,7-8H2,1-2H3,(H2,20,26)(H,21,22)(H,23,25)
• InChIKey: JYGIPZYVYPQMND-UHFFFAOYSA-N
• XLogP: 1.28
• TPSA: 114.79 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.49
LogP ≤ 5	1.28
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[4-(aminodiazenyl)-2-ethyl-1,2-dihydropyridin-6-yl]-2-(1,4-dihydropyrimidin-2-yl)-5-methyl-5,7,8,8a-tetrahydro-3H-pyrido[4,3-d]pyrimidine?

The IUPAC name of 6-[4-(aminodiazenyl)-2-ethyl-1,2-dihydropyridin-6-yl]-2-(1,4-dihydropyrimidin-2-yl)-5-methyl-5,7,8,8a-tetrahydro-3H-pyrido[4,3-d]pyrimidine (CID 122681089) is 6-[4-(aminodiazenyl)-2-ethyl-1,2-dihydropyridin-6-yl]-2-(1,4-dihydropyrimidin-2-yl)-5-methyl-5,7,8,8a-tetrahydro-3H-pyrido[4,3-d]pyrimidine.

What is the SMILES notation for 6-[4-(aminodiazenyl)-2-ethyl-1,2-dihydropyridin-6-yl]-2-(1,4-dihydropyrimidin-2-yl)-5-methyl-5,7,8,8a-tetrahydro-3H-pyrido[4,3-d]pyrimidine?

The canonical SMILES for 6-[4-(aminodiazenyl)-2-ethyl-1,2-dihydropyridin-6-yl]-2-(1,4-dihydropyrimidin-2-yl)-5-methyl-5,7,8,8a-tetrahydro-3H-pyrido[4,3-d]pyrimidine is CCC1C=C(/N=N/N)C=C(N2CCC3N=C(C4=NCC=CN4)NC=C3C2C)N1.

What is the InChIKey of 6-[4-(aminodiazenyl)-2-ethyl-1,2-dihydropyridin-6-yl]-2-(1,4-dihydropyrimidin-2-yl)-5-methyl-5,7,8,8a-tetrahydro-3H-pyrido[4,3-d]pyrimidine?

The InChIKey is JYGIPZYVYPQMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N9/c1-3-13-9-14(26-27-20)10-17(24-13)28-8-5-16-15(12(28)2)11-23-19(25-16)18-21-6-4-7-22-18/h4,6,9-13,16,24H,3,5,7-8H2,1-2H3,(H2,20,26)(H,21,22)(H,23,25).

What are the key properties of 6-[4-(aminodiazenyl)-2-ethyl-1,2-dihydropyridin-6-yl]-2-(1,4-dihydropyrimidin-2-yl)-5-methyl-5,7,8,8a-tetrahydro-3H-pyrido[4,3-d]pyrimidine?

6-[4-(aminodiazenyl)-2-ethyl-1,2-dihydropyridin-6-yl]-2-(1,4-dihydropyrimidin-2-yl)-5-methyl-5,7,8,8a-tetrahydro-3H-pyrido[4,3-d]pyrimidine has a molecular weight of 381.49 g/mol, XLogP of 1.28, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(aminodiazenyl)-2-ethyl-1,2-dihydropyridin-6-yl]-2-(1,4-dihydropyrimidin-2-yl)-5-methyl-5,7,8,8a-tetrahydro-3H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 122681089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).