4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-[2-(cyclopropylamino)pyrimidin-5-yl]oxy-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-(3-isocyanophenoxy)-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-methyl-2-[[5-(2-methyltetrazol-5-yl)-3-pyridinyl]oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine

C97H100N32O5 — CID 159301012

About 4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-[2-(cyclopropylamino)pyrimidin-5-yl]oxy-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-(3-isocyanophenoxy)-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-methyl-2-[[5-(2-methyltetrazol-5-yl)-3-pyridinyl]oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine

4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-[2-(cyclopropylamino)pyrimidin-5-yl]oxy-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-(3-isocyanophenoxy)-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-methyl-2-[[5-(2-methyltetrazol-5-yl)-3-pyridinyl]oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine (PubChem CID 159301012) has the molecular formula C97H100N32O5 and a molecular weight of 1794.09 g/mol. Its IUPAC name is 4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-[2-(cyclopropylamino)pyrimidin-5-yl]oxy-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-(3-isocyanophenoxy)-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-methyl-2-[[5-(2-methyltetrazol-5-yl)-3-pyridinyl]oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine.

Molecular Properties

• Compound Name: 4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-[2-(cyclopropylamino)pyrimidin-5-yl]oxy-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-(3-isocyanophenoxy)-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-methyl-2-[[5-(2-methyltetrazol-5-yl)-3-pyridinyl]oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine
• PubChem CID: 159301012
• Molecular Formula: C97H100N32O5
• Molecular Weight: 1794.09 g/mol
• Exact Mass: 1792.86
• IUPAC Name: 4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-[2-(cyclopropylamino)pyrimidin-5-yl]oxy-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-(3-isocyanophenoxy)-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-methyl-2-[[5-(2-methyltetrazol-5-yl)-3-pyridinyl]oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine
• SMILES: CNc1cccc2c1Cc1nc(Oc3cnc(N4CCOCC4)nc3)nc(N3CC4C(N)C4C3)c1-2.CNc1cccc2c1Cc1nc(Oc3cnc(NC4CC4)nc3)nc(N3CC4C(N)C4C3)c1-2.CNc1cccc2c1Cc1nc(Oc3cncc(-c4nnn(C)n4)c3)nc(N3CC4C(N)C4C3)c1-2.[C-]#[N+]c1cccc(Oc2nc3c(c(N4CC5C(N)C5C4)n2)-c2cccc(NC)c2C3)c1
• InChI: InChI=1S/C25H28N8O2.C24H24N10O.C24H26N8O.C24H22N6O/c1-27-19-4-2-3-15-16(19)9-20-21(15)23(33-12-17-18(13-33)22(17)26)31-25(30-20)35-14-10-28-24(29-11-14)32-5-7-34-8-6-32;1-26-18-5-3-4-14-15(18)7-19-20(14)23(34-10-16-17(11-34)21(16)25)29-24(28-19)35-13-6-12(8-27-9-13)22-30-32-33(2)31-22;1-26-18-4-2-3-14-15(18)7-19-20(14)22(32-10-16-17(11-32)21(16)25)31-24(30-19)33-13-8-27-23(28-9-13)29-12-5-6-12;1-26-13-5-3-6-14(9-13)31-24-28-20-10-16-15(7-4-8-19(16)27-2)21(20)23(29-24)30-11-17-18(12-30)22(17)25/h2-4,10-11,17-18,22,27H,5-9,12-13,26H2,1H3;3-6,8-9,16-17,21,26H,7,10-11,25H2,1-2H3;2-4,8-9,12,16-17,21,26H,5-7,10-11,25H2,1H3,(H,27,28,29);3-9,17-18,22,27H,10-12,25H2,2H3
• InChIKey: LBIIOSDMJRGROU-UHFFFAOYSA-N
• XLogP: 10.23
• TPSA: 442.11 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 36
• Rotatable Bonds: 20
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1794.09
LogP ≤ 5	10.23
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-[2-(cyclopropylamino)pyrimidin-5-yl]oxy-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-(3-isocyanophenoxy)-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-methyl-2-[[5-(2-methyltetrazol-5-yl)-3-pyridinyl]oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine?

The IUPAC name of 4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-[2-(cyclopropylamino)pyrimidin-5-yl]oxy-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-(3-isocyanophenoxy)-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-methyl-2-[[5-(2-methyltetrazol-5-yl)-3-pyridinyl]oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine (CID 159301012) is 4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-[2-(cyclopropylamino)pyrimidin-5-yl]oxy-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-(3-isocyanophenoxy)-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-methyl-2-[[5-(2-methyltetrazol-5-yl)-3-pyridinyl]oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine.

What is the SMILES notation for 4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-[2-(cyclopropylamino)pyrimidin-5-yl]oxy-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-(3-isocyanophenoxy)-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-methyl-2-[[5-(2-methyltetrazol-5-yl)-3-pyridinyl]oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine?

The canonical SMILES for 4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-[2-(cyclopropylamino)pyrimidin-5-yl]oxy-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-(3-isocyanophenoxy)-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-methyl-2-[[5-(2-methyltetrazol-5-yl)-3-pyridinyl]oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine is CNc1cccc2c1Cc1nc(Oc3cnc(N4CCOCC4)nc3)nc(N3CC4C(N)C4C3)c1-2.CNc1cccc2c1Cc1nc(Oc3cnc(NC4CC4)nc3)nc(N3CC4C(N)C4C3)c1-2.CNc1cccc2c1Cc1nc(Oc3cncc(-c4nnn(C)n4)c3)nc(N3CC4C(N)C4C3)c1-2.[C-]#[N+]c1cccc(Oc2nc3c(c(N4CC5C(N)C5C4)n2)-c2cccc(NC)c2C3)c1.

What is the InChIKey of 4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-[2-(cyclopropylamino)pyrimidin-5-yl]oxy-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-(3-isocyanophenoxy)-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-methyl-2-[[5-(2-methyltetrazol-5-yl)-3-pyridinyl]oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine?

The InChIKey is LBIIOSDMJRGROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O2.C24H24N10O.C24H26N8O.C24H22N6O/c1-27-19-4-2-3-15-16(19)9-20-21(15)23(33-12-17-18(13-33)22(17)26)31-25(30-20)35-14-10-28-24(29-11-14)32-5-7-34-8-6-32;1-26-18-5-3-4-14-15(18)7-19-20(14)23(34-10-16-17(11-34)21(16)25)29-24(28-19)35-13-6-12(8-27-9-13)22-30-32-33(2)31-22;1-26-18-4-2-3-14-15(18)7-19-20(14)22(32-10-16-17(11-32)21(16)25)31-24(30-19)33-13-8-27-23(28-9-13)29-12-5-6-12;1-26-13-5-3-6-14(9-13)31-24-28-20-10-16-15(7-4-8-19(16)27-2)21(20)23(29-24)30-11-17-18(12-30)22(17)25/h2-4,10-11,17-18,22,27H,5-9,12-13,26H2,1H3;3-6,8-9,16-17,21,26H,7,10-11,25H2,1-2H3;2-4,8-9,12,16-17,21,26H,5-7,10-11,25H2,1H3,(H,27,28,29);3-9,17-18,22,27H,10-12,25H2,2H3.

What are the key properties of 4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-[2-(cyclopropylamino)pyrimidin-5-yl]oxy-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-(3-isocyanophenoxy)-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-methyl-2-[[5-(2-methyltetrazol-5-yl)-3-pyridinyl]oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine?

4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-[2-(cyclopropylamino)pyrimidin-5-yl]oxy-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-(3-isocyanophenoxy)-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-methyl-2-[[5-(2-methyltetrazol-5-yl)-3-pyridinyl]oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine has a molecular weight of 1794.09 g/mol, XLogP of 10.23, 20 rotatable bonds, 9 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-[2-(cyclopropylamino)pyrimidin-5-yl]oxy-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-(3-isocyanophenoxy)-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-methyl-2-[[5-(2-methyltetrazol-5-yl)-3-pyridinyl]oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine is sourced from PubChem (CID 159301012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).