About 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-[[5-(2-methyltetrazol-5-yl)-3-pyridinyl]oxy]-9H-indeno[2,1-d]pyrimidin-8-amine (PubChem CID 159301015) has the molecular formula C24H24N10O
and a molecular weight of 468.53 g/mol. Its IUPAC name is 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.
Molecular Properties
| Compound Name | 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 |
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| PubChem CID | 159301015 |
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| Molecular Formula | C24H24N10O |
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| Molecular Weight | 468.53 g/mol |
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| Exact Mass | 468.21 |
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| IUPAC Name | 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 |
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| SMILES | CNc1cccc2c1Cc1nc(Oc3cncc(-c4nnn(C)n4)c3)nc(N3CC4C(N)C4C3)c1-2 |
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| InChI | InChI=1S/C24H24N10O/c1-26-18-5-3-4-14-15(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/h3-6,8-9,16-17,21,26H,7,10-11,25H2,1-2H3 |
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| InChIKey | BBRNXHWIVOOIDZ-UHFFFAOYSA-N |
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| XLogP | 1.86 |
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| TPSA | 132.79 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 11 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 35 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 468.53 |
| LogP ≤ 5 | 1.86 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 11 |
Analyze 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 with MolForge
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Frequently Asked Questions
What is the IUPAC name of 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?
The IUPAC name of 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 (CID 159301015) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNc1cccc2c1Cc1nc(Oc3cncc(-c4nnn(C)n4)c3)nc(N3CC4C(N)C4C3)c1-2.
What is the InChIKey of 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?
The InChIKey is BBRNXHWIVOOIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N10O/c1-26-18-5-3-4-14-15(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/h3-6,8-9,16-17,21,26H,7,10-11,25H2,1-2H3.
What are the key properties of 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-[[5-(2-methyltetrazol-5-yl)-3-pyridinyl]oxy]-9H-indeno[2,1-d]pyrimidin-8-amine has a molecular weight of 468.53 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159301015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).