4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;propane

C24H40N6O — CID 163223192

About 4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;propane

4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;propane (PubChem CID 163223192) has the molecular formula C24H40N6O and a molecular weight of 428.63 g/mol. Its IUPAC name is 4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;propane.

Molecular Properties

• Compound Name: 4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;propane
• PubChem CID: 163223192
• Molecular Formula: C24H40N6O
• Molecular Weight: 428.63 g/mol
• Exact Mass: 428.33
• IUPAC Name: 4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;propane
• SMILES: C1CN2CCCC2(COc2nc3c(c(N4CC5CCC(C4)N5)n2)CCNC3)C1.CCC
• InChI: InChI=1S/C21H32N6O.C3H8/c1-6-21(7-2-10-27(21)9-1)14-28-20-24-18-11-22-8-5-17(18)19(25-20)26-12-15-3-4-16(13-26)23-15;1-3-2/h15-16,22-23H,1-14H2;3H2,1-2H3
• InChIKey: AZKNLNROOJWFQO-UHFFFAOYSA-N
• XLogP: 2.49
• TPSA: 65.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.63
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;propane?

The IUPAC name of 4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;propane (CID 163223192) is 4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;propane.

What is the SMILES notation for 4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;propane?

The canonical SMILES for 4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;propane is C1CN2CCCC2(COc2nc3c(c(N4CC5CCC(C4)N5)n2)CCNC3)C1.CCC.

What is the InChIKey of 4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;propane?

The InChIKey is AZKNLNROOJWFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O.C3H8/c1-6-21(7-2-10-27(21)9-1)14-28-20-24-18-11-22-8-5-17(18)19(25-20)26-12-15-3-4-16(13-26)23-15;1-3-2/h15-16,22-23H,1-14H2;3H2,1-2H3.

What are the key properties of 4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;propane?

4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;propane has a molecular weight of 428.63 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;propane is sourced from PubChem (CID 163223192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).