6-amino-3-[(2S)-butan-2-yl]-2-[2-methoxy-4-[2-methyl-2-(3-methylpentyl)azetidin-1-yl]-5,6,7,8-tetrahydroquinazolin-7-yl]benzonitrile;2-amino-5-ethyl-2'-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-4'-(7-methyl-1-azaspiro[3.5]nonan-1-yl)spiro[6,7-dihydro-5H-naphthalene-8,7'-6,8-dihydro-5H-quinazoline]-1-carbonitrile;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine

C75H106F2N12O2 — CID 176712734

About 6-amino-3-[(2S)-butan-2-yl]-2-[2-methoxy-4-[2-methyl-2-(3-methylpentyl)azetidin-1-yl]-5,6,7,8-tetrahydroquinazolin-7-yl]benzonitrile;2-amino-5-ethyl-2'-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-4'-(7-methyl-1-azaspiro[3.5]nonan-1-yl)spiro[6,7-dihydro-5H-naphthalene-8,7'-6,8-dihydro-5H-quinazoline]-1-carbonitrile;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine

6-amino-3-[(2S)-butan-2-yl]-2-[2-methoxy-4-[2-methyl-2-(3-methylpentyl)azetidin-1-yl]-5,6,7,8-tetrahydroquinazolin-7-yl]benzonitrile;2-amino-5-ethyl-2'-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-4'-(7-methyl-1-azaspiro[3.5]nonan-1-yl)spiro[6,7-dihydro-5H-naphthalene-8,7'-6,8-dihydro-5H-quinazoline]-1-carbonitrile;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 176712734) has the molecular formula C75H106F2N12O2 and a molecular weight of 1245.75 g/mol. Its IUPAC name is 6-amino-3-[(2S)-butan-2-yl]-2-[2-methoxy-4-[2-methyl-2-(3-methylpentyl)azetidin-1-yl]-5,6,7,8-tetrahydroquinazolin-7-yl]benzonitrile;2-amino-5-ethyl-2'-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-4'-(7-methyl-1-azaspiro[3.5]nonan-1-yl)spiro[6,7-dihydro-5H-naphthalene-8,7'-6,8-dihydro-5H-quinazoline]-1-carbonitrile;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

• Compound Name: 6-amino-3-[(2S)-butan-2-yl]-2-[2-methoxy-4-[2-methyl-2-(3-methylpentyl)azetidin-1-yl]-5,6,7,8-tetrahydroquinazolin-7-yl]benzonitrile;2-amino-5-ethyl-2'-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-4'-(7-methyl-1-azaspiro[3.5]nonan-1-yl)spiro[6,7-dihydro-5H-naphthalene-8,7'-6,8-dihydro-5H-quinazoline]-1-carbonitrile;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine
• PubChem CID: 176712734
• Molecular Formula: C75H106F2N12O2
• Molecular Weight: 1245.75 g/mol
• Exact Mass: 1244.85
• IUPAC Name: 6-amino-3-[(2S)-butan-2-yl]-2-[2-methoxy-4-[2-methyl-2-(3-methylpentyl)azetidin-1-yl]-5,6,7,8-tetrahydroquinazolin-7-yl]benzonitrile;2-amino-5-ethyl-2'-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-4'-(7-methyl-1-azaspiro[3.5]nonan-1-yl)spiro[6,7-dihydro-5H-naphthalene-8,7'-6,8-dihydro-5H-quinazoline]-1-carbonitrile;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine
• SMILES: CC12CCCN1CC(F)C2.CCC(C)CCC1(C)CCN1c1nc(OC)nc2c1CCC(c1c([C@@H](C)CC)ccc(N)c1C#N)C2.CCC1CCC2(CCc3c(nc(OCC45CCCN4CC(F)C5)nc3N3CCC34CCC(C)CC4)C2)c2c1ccc(N)c2C#N
• InChI: InChI=1S/C37H49FN6O.C30H43N5O.C8H14FN/c1-3-25-9-12-35(32-27(25)5-6-30(40)29(32)21-39)13-10-28-31(20-35)41-34(45-23-37-11-4-17-43(37)22-26(38)19-37)42-33(28)44-18-16-36(44)14-7-24(2)8-15-36;1-7-19(3)13-14-30(5)15-16-35(30)28-23-10-9-21(17-26(23)33-29(34-28)36-6)27-22(20(4)8-2)11-12-25(32)24(27)18-31;1-8-3-2-4-10(8)6-7(9)5-8/h5-6,24-26H,3-4,7-20,22-23,40H2,1-2H3;11-12,19-21H,7-10,13-17,32H2,1-6H3;7H,2-6H2,1H3/t;19?,20-,21?,30?;/m.0./s1
• InChIKey: JVMLEUHTGSRWTL-IRTVERPSSA-N
• XLogP: 14.86
• TPSA: 182.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1245.75
LogP ≤ 5	14.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-[(2S)-butan-2-yl]-2-[2-methoxy-4-[2-methyl-2-(3-methylpentyl)azetidin-1-yl]-5,6,7,8-tetrahydroquinazolin-7-yl]benzonitrile;2-amino-5-ethyl-2'-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-4'-(7-methyl-1-azaspiro[3.5]nonan-1-yl)spiro[6,7-dihydro-5H-naphthalene-8,7'-6,8-dihydro-5H-quinazoline]-1-carbonitrile;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine?

The IUPAC name of 6-amino-3-[(2S)-butan-2-yl]-2-[2-methoxy-4-[2-methyl-2-(3-methylpentyl)azetidin-1-yl]-5,6,7,8-tetrahydroquinazolin-7-yl]benzonitrile;2-amino-5-ethyl-2'-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-4'-(7-methyl-1-azaspiro[3.5]nonan-1-yl)spiro[6,7-dihydro-5H-naphthalene-8,7'-6,8-dihydro-5H-quinazoline]-1-carbonitrile;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine (CID 176712734) is 6-amino-3-[(2S)-butan-2-yl]-2-[2-methoxy-4-[2-methyl-2-(3-methylpentyl)azetidin-1-yl]-5,6,7,8-tetrahydroquinazolin-7-yl]benzonitrile;2-amino-5-ethyl-2'-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-4'-(7-methyl-1-azaspiro[3.5]nonan-1-yl)spiro[6,7-dihydro-5H-naphthalene-8,7'-6,8-dihydro-5H-quinazoline]-1-carbonitrile;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine.

What is the SMILES notation for 6-amino-3-[(2S)-butan-2-yl]-2-[2-methoxy-4-[2-methyl-2-(3-methylpentyl)azetidin-1-yl]-5,6,7,8-tetrahydroquinazolin-7-yl]benzonitrile;2-amino-5-ethyl-2'-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-4'-(7-methyl-1-azaspiro[3.5]nonan-1-yl)spiro[6,7-dihydro-5H-naphthalene-8,7'-6,8-dihydro-5H-quinazoline]-1-carbonitrile;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine?

The canonical SMILES for 6-amino-3-[(2S)-butan-2-yl]-2-[2-methoxy-4-[2-methyl-2-(3-methylpentyl)azetidin-1-yl]-5,6,7,8-tetrahydroquinazolin-7-yl]benzonitrile;2-amino-5-ethyl-2'-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-4'-(7-methyl-1-azaspiro[3.5]nonan-1-yl)spiro[6,7-dihydro-5H-naphthalene-8,7'-6,8-dihydro-5H-quinazoline]-1-carbonitrile;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine is CC12CCCN1CC(F)C2.CCC(C)CCC1(C)CCN1c1nc(OC)nc2c1CCC(c1c([C@@H](C)CC)ccc(N)c1C#N)C2.CCC1CCC2(CCc3c(nc(OCC45CCCN4CC(F)C5)nc3N3CCC34CCC(C)CC4)C2)c2c1ccc(N)c2C#N.

What is the InChIKey of 6-amino-3-[(2S)-butan-2-yl]-2-[2-methoxy-4-[2-methyl-2-(3-methylpentyl)azetidin-1-yl]-5,6,7,8-tetrahydroquinazolin-7-yl]benzonitrile;2-amino-5-ethyl-2'-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-4'-(7-methyl-1-azaspiro[3.5]nonan-1-yl)spiro[6,7-dihydro-5H-naphthalene-8,7'-6,8-dihydro-5H-quinazoline]-1-carbonitrile;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine?

The InChIKey is JVMLEUHTGSRWTL-IRTVERPSSA-N. The full InChI is InChI=1S/C37H49FN6O.C30H43N5O.C8H14FN/c1-3-25-9-12-35(32-27(25)5-6-30(40)29(32)21-39)13-10-28-31(20-35)41-34(45-23-37-11-4-17-43(37)22-26(38)19-37)42-33(28)44-18-16-36(44)14-7-24(2)8-15-36;1-7-19(3)13-14-30(5)15-16-35(30)28-23-10-9-21(17-26(23)33-29(34-28)36-6)27-22(20(4)8-2)11-12-25(32)24(27)18-31;1-8-3-2-4-10(8)6-7(9)5-8/h5-6,24-26H,3-4,7-20,22-23,40H2,1-2H3;11-12,19-21H,7-10,13-17,32H2,1-6H3;7H,2-6H2,1H3/t;19?,20-,21?,30?;/m.0./s1.

What are the key properties of 6-amino-3-[(2S)-butan-2-yl]-2-[2-methoxy-4-[2-methyl-2-(3-methylpentyl)azetidin-1-yl]-5,6,7,8-tetrahydroquinazolin-7-yl]benzonitrile;2-amino-5-ethyl-2'-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-4'-(7-methyl-1-azaspiro[3.5]nonan-1-yl)spiro[6,7-dihydro-5H-naphthalene-8,7'-6,8-dihydro-5H-quinazoline]-1-carbonitrile;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine?

6-amino-3-[(2S)-butan-2-yl]-2-[2-methoxy-4-[2-methyl-2-(3-methylpentyl)azetidin-1-yl]-5,6,7,8-tetrahydroquinazolin-7-yl]benzonitrile;2-amino-5-ethyl-2'-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-4'-(7-methyl-1-azaspiro[3.5]nonan-1-yl)spiro[6,7-dihydro-5H-naphthalene-8,7'-6,8-dihydro-5H-quinazoline]-1-carbonitrile;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 1245.75 g/mol, XLogP of 14.86, 14 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-3-[(2S)-butan-2-yl]-2-[2-methoxy-4-[2-methyl-2-(3-methylpentyl)azetidin-1-yl]-5,6,7,8-tetrahydroquinazolin-7-yl]benzonitrile;2-amino-5-ethyl-2'-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-4'-(7-methyl-1-azaspiro[3.5]nonan-1-yl)spiro[6,7-dihydro-5H-naphthalene-8,7'-6,8-dihydro-5H-quinazoline]-1-carbonitrile;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 176712734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).