6-amino-2-[2-ethyl-4-(6-propan-2-yl-2-azaspiro[3.3]heptan-2-yl)-5,6,7,8-tetrahydroquinazolin-7-yl]-3-propylbenzonitrile;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine

C37H53FN6 — CID 176712343

About 6-amino-2-[2-ethyl-4-(6-propan-2-yl-2-azaspiro[3.3]heptan-2-yl)-5,6,7,8-tetrahydroquinazolin-7-yl]-3-propylbenzonitrile;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine

6-amino-2-[2-ethyl-4-(6-propan-2-yl-2-azaspiro[3.3]heptan-2-yl)-5,6,7,8-tetrahydroquinazolin-7-yl]-3-propylbenzonitrile;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 176712343) has the molecular formula C37H53FN6 and a molecular weight of 600.87 g/mol. Its IUPAC name is 6-amino-2-[2-ethyl-4-(6-propan-2-yl-2-azaspiro[3.3]heptan-2-yl)-5,6,7,8-tetrahydroquinazolin-7-yl]-3-propylbenzonitrile;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

• Compound Name: 6-amino-2-[2-ethyl-4-(6-propan-2-yl-2-azaspiro[3.3]heptan-2-yl)-5,6,7,8-tetrahydroquinazolin-7-yl]-3-propylbenzonitrile;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine
• PubChem CID: 176712343
• Molecular Formula: C37H53FN6
• Molecular Weight: 600.87 g/mol
• Exact Mass: 600.43
• IUPAC Name: 6-amino-2-[2-ethyl-4-(6-propan-2-yl-2-azaspiro[3.3]heptan-2-yl)-5,6,7,8-tetrahydroquinazolin-7-yl]-3-propylbenzonitrile;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine
• SMILES: CC12CCCN1CC(F)C2.CCCc1ccc(N)c(C#N)c1C1CCc2c(nc(CC)nc2N2CC3(CC(C(C)C)C3)C2)C1
• InChI: InChI=1S/C29H39N5.C8H14FN/c1-5-7-19-9-11-24(31)23(15-30)27(19)20-8-10-22-25(12-20)32-26(6-2)33-28(22)34-16-29(17-34)13-21(14-29)18(3)4;1-8-3-2-4-10(8)6-7(9)5-8/h9,11,18,20-21H,5-8,10,12-14,16-17,31H2,1-4H3;7H,2-6H2,1H3
• InChIKey: FVROPUMGZKNNET-UHFFFAOYSA-N
• XLogP: 7.17
• TPSA: 82.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.87
LogP ≤ 5	7.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[2-ethyl-4-(6-propan-2-yl-2-azaspiro[3.3]heptan-2-yl)-5,6,7,8-tetrahydroquinazolin-7-yl]-3-propylbenzonitrile;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine?

The IUPAC name of 6-amino-2-[2-ethyl-4-(6-propan-2-yl-2-azaspiro[3.3]heptan-2-yl)-5,6,7,8-tetrahydroquinazolin-7-yl]-3-propylbenzonitrile;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine (CID 176712343) is 6-amino-2-[2-ethyl-4-(6-propan-2-yl-2-azaspiro[3.3]heptan-2-yl)-5,6,7,8-tetrahydroquinazolin-7-yl]-3-propylbenzonitrile;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine.

What is the SMILES notation for 6-amino-2-[2-ethyl-4-(6-propan-2-yl-2-azaspiro[3.3]heptan-2-yl)-5,6,7,8-tetrahydroquinazolin-7-yl]-3-propylbenzonitrile;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine?

The canonical SMILES for 6-amino-2-[2-ethyl-4-(6-propan-2-yl-2-azaspiro[3.3]heptan-2-yl)-5,6,7,8-tetrahydroquinazolin-7-yl]-3-propylbenzonitrile;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine is CC12CCCN1CC(F)C2.CCCc1ccc(N)c(C#N)c1C1CCc2c(nc(CC)nc2N2CC3(CC(C(C)C)C3)C2)C1.

What is the InChIKey of 6-amino-2-[2-ethyl-4-(6-propan-2-yl-2-azaspiro[3.3]heptan-2-yl)-5,6,7,8-tetrahydroquinazolin-7-yl]-3-propylbenzonitrile;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine?

The InChIKey is FVROPUMGZKNNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N5.C8H14FN/c1-5-7-19-9-11-24(31)23(15-30)27(19)20-8-10-22-25(12-20)32-26(6-2)33-28(22)34-16-29(17-34)13-21(14-29)18(3)4;1-8-3-2-4-10(8)6-7(9)5-8/h9,11,18,20-21H,5-8,10,12-14,16-17,31H2,1-4H3;7H,2-6H2,1H3.

What are the key properties of 6-amino-2-[2-ethyl-4-(6-propan-2-yl-2-azaspiro[3.3]heptan-2-yl)-5,6,7,8-tetrahydroquinazolin-7-yl]-3-propylbenzonitrile;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine?

6-amino-2-[2-ethyl-4-(6-propan-2-yl-2-azaspiro[3.3]heptan-2-yl)-5,6,7,8-tetrahydroquinazolin-7-yl]-3-propylbenzonitrile;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 600.87 g/mol, XLogP of 7.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-2-[2-ethyl-4-(6-propan-2-yl-2-azaspiro[3.3]heptan-2-yl)-5,6,7,8-tetrahydroquinazolin-7-yl]-3-propylbenzonitrile;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 176712343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).