5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine;2-(2,3-dihydro-1H-inden-2-ylamino)-N'-hydroxypyrimidine-5-carboximidamide;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,2,4-oxadiazol-5-yl]acetic acid;1-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,2,4-oxadiazol-5-yl]propan-2-one;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,2,4-oxadiazol-5-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;N-(2,3-dihydro-1H-inden-2-yl)-5-isocyanopyrimidin-2-amine

C98H92BrN31O8 — CID 172940884

About 5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine;2-(2,3-dihydro-1H-inden-2-ylamino)-N'-hydroxypyrimidine-5-carboximidamide;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,2,4-oxadiazol-5-yl]acetic acid;1-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,2,4-oxadiazol-5-yl]propan-2-one;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,2,4-oxadiazol-5-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;N-(2,3-dihydro-1H-inden-2-yl)-5-isocyanopyrimidin-2-amine

5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine;2-(2,3-dihydro-1H-inden-2-ylamino)-N'-hydroxypyrimidine-5-carboximidamide;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,2,4-oxadiazol-5-yl]acetic acid;1-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,2,4-oxadiazol-5-yl]propan-2-one;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,2,4-oxadiazol-5-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;N-(2,3-dihydro-1H-inden-2-yl)-5-isocyanopyrimidin-2-amine (PubChem CID 172940884) has the molecular formula C98H92BrN31O8 and a molecular weight of 1911.93 g/mol. Its IUPAC name is 5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine;2-(2,3-dihydro-1H-inden-2-ylamino)-N'-hydroxypyrimidine-5-carboximidamide;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,2,4-oxadiazol-5-yl]acetic acid;1-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,2,4-oxadiazol-5-yl]propan-2-one;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,2,4-oxadiazol-5-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;N-(2,3-dihydro-1H-inden-2-yl)-5-isocyanopyrimidin-2-amine.

Molecular Properties

• Compound Name: 5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine;2-(2,3-dihydro-1H-inden-2-ylamino)-N'-hydroxypyrimidine-5-carboximidamide;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,2,4-oxadiazol-5-yl]acetic acid;1-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,2,4-oxadiazol-5-yl]propan-2-one;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,2,4-oxadiazol-5-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;N-(2,3-dihydro-1H-inden-2-yl)-5-isocyanopyrimidin-2-amine
• PubChem CID: 172940884
• Molecular Formula: C98H92BrN31O8
• Molecular Weight: 1911.93 g/mol
• Exact Mass: 1909.69
• IUPAC Name: 5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine;2-(2,3-dihydro-1H-inden-2-ylamino)-N'-hydroxypyrimidine-5-carboximidamide;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,2,4-oxadiazol-5-yl]acetic acid;1-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,2,4-oxadiazol-5-yl]propan-2-one;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,2,4-oxadiazol-5-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;N-(2,3-dihydro-1H-inden-2-yl)-5-isocyanopyrimidin-2-amine
• SMILES: Brc1cnc(NC2Cc3ccccc3C2)nc1.CC(=O)Cc1nc(-c2cnc(NC3Cc4ccccc4C3)nc2)no1.N/C(=N\O)c1cnc(NC2Cc3ccccc3C2)nc1.O=C(Cc1nc(-c2cnc(NC3Cc4ccccc4C3)nc2)no1)N1CCc2n[nH]nc2C1.O=C(O)Cc1nc(-c2cnc(NC3Cc4ccccc4C3)nc2)no1.[C-]#[N+]c1cnc(NC2Cc3ccccc3C2)nc1
• InChI: InChI=1S/C22H21N9O2.C18H17N5O2.C17H15N5O3.C14H15N5O.C14H12N4.C13H12BrN3/c32-20(31-6-5-17-18(12-31)28-30-27-17)9-19-26-21(29-33-19)15-10-23-22(24-11-15)25-16-7-13-3-1-2-4-14(13)8-16;1-11(24)6-16-22-17(23-25-16)14-9-19-18(20-10-14)21-15-7-12-4-2-3-5-13(12)8-15;23-15(24)7-14-21-16(22-25-14)12-8-18-17(19-9-12)20-13-5-10-3-1-2-4-11(10)6-13;15-13(19-20)11-7-16-14(17-8-11)18-12-5-9-3-1-2-4-10(9)6-12;1-15-13-8-16-14(17-9-13)18-12-6-10-4-2-3-5-11(10)7-12;14-11-7-15-13(16-8-11)17-12-5-9-3-1-2-4-10(9)6-12/h1-4,10-11,16H,5-9,12H2,(H,23,24,25)(H,27,28,30);2-5,9-10,15H,6-8H2,1H3,(H,19,20,21);1-4,8-9,13H,5-7H2,(H,23,24)(H,18,19,20);1-4,7-8,12,20H,5-6H2,(H2,15,19)(H,16,17,18);2-5,8-9,12H,6-7H2,(H,16,17,18);1-4,7-8,12H,5-6H2,(H,15,16,17)
• InChIKey: ZSMAUTPEVKGULH-UHFFFAOYSA-N
• XLogP: 11.90
• TPSA: 522.84 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 34
• Rotatable Bonds: 22
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1911.93
LogP ≤ 5	11.90
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine;2-(2,3-dihydro-1H-inden-2-ylamino)-N'-hydroxypyrimidine-5-carboximidamide;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,2,4-oxadiazol-5-yl]acetic acid;1-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,2,4-oxadiazol-5-yl]propan-2-one;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,2,4-oxadiazol-5-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;N-(2,3-dihydro-1H-inden-2-yl)-5-isocyanopyrimidin-2-amine?

The IUPAC name of 5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine;2-(2,3-dihydro-1H-inden-2-ylamino)-N'-hydroxypyrimidine-5-carboximidamide;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,2,4-oxadiazol-5-yl]acetic acid;1-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,2,4-oxadiazol-5-yl]propan-2-one;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,2,4-oxadiazol-5-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;N-(2,3-dihydro-1H-inden-2-yl)-5-isocyanopyrimidin-2-amine (CID 172940884) is 5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine;2-(2,3-dihydro-1H-inden-2-ylamino)-N'-hydroxypyrimidine-5-carboximidamide;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,2,4-oxadiazol-5-yl]acetic acid;1-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,2,4-oxadiazol-5-yl]propan-2-one;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,2,4-oxadiazol-5-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;N-(2,3-dihydro-1H-inden-2-yl)-5-isocyanopyrimidin-2-amine.

What is the SMILES notation for 5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine;2-(2,3-dihydro-1H-inden-2-ylamino)-N'-hydroxypyrimidine-5-carboximidamide;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,2,4-oxadiazol-5-yl]acetic acid;1-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,2,4-oxadiazol-5-yl]propan-2-one;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,2,4-oxadiazol-5-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;N-(2,3-dihydro-1H-inden-2-yl)-5-isocyanopyrimidin-2-amine?

The canonical SMILES for 5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine;2-(2,3-dihydro-1H-inden-2-ylamino)-N'-hydroxypyrimidine-5-carboximidamide;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,2,4-oxadiazol-5-yl]acetic acid;1-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,2,4-oxadiazol-5-yl]propan-2-one;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,2,4-oxadiazol-5-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;N-(2,3-dihydro-1H-inden-2-yl)-5-isocyanopyrimidin-2-amine is Brc1cnc(NC2Cc3ccccc3C2)nc1.CC(=O)Cc1nc(-c2cnc(NC3Cc4ccccc4C3)nc2)no1.N/C(=N\O)c1cnc(NC2Cc3ccccc3C2)nc1.O=C(Cc1nc(-c2cnc(NC3Cc4ccccc4C3)nc2)no1)N1CCc2n[nH]nc2C1.O=C(O)Cc1nc(-c2cnc(NC3Cc4ccccc4C3)nc2)no1.[C-]#[N+]c1cnc(NC2Cc3ccccc3C2)nc1.

What is the InChIKey of 5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine;2-(2,3-dihydro-1H-inden-2-ylamino)-N'-hydroxypyrimidine-5-carboximidamide;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,2,4-oxadiazol-5-yl]acetic acid;1-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,2,4-oxadiazol-5-yl]propan-2-one;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,2,4-oxadiazol-5-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;N-(2,3-dihydro-1H-inden-2-yl)-5-isocyanopyrimidin-2-amine?

The InChIKey is ZSMAUTPEVKGULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N9O2.C18H17N5O2.C17H15N5O3.C14H15N5O.C14H12N4.C13H12BrN3/c32-20(31-6-5-17-18(12-31)28-30-27-17)9-19-26-21(29-33-19)15-10-23-22(24-11-15)25-16-7-13-3-1-2-4-14(13)8-16;1-11(24)6-16-22-17(23-25-16)14-9-19-18(20-10-14)21-15-7-12-4-2-3-5-13(12)8-15;23-15(24)7-14-21-16(22-25-14)12-8-18-17(19-9-12)20-13-5-10-3-1-2-4-11(10)6-13;15-13(19-20)11-7-16-14(17-8-11)18-12-5-9-3-1-2-4-10(9)6-12;1-15-13-8-16-14(17-9-13)18-12-6-10-4-2-3-5-11(10)7-12;14-11-7-15-13(16-8-11)17-12-5-9-3-1-2-4-10(9)6-12/h1-4,10-11,16H,5-9,12H2,(H,23,24,25)(H,27,28,30);2-5,9-10,15H,6-8H2,1H3,(H,19,20,21);1-4,8-9,13H,5-7H2,(H,23,24)(H,18,19,20);1-4,7-8,12,20H,5-6H2,(H2,15,19)(H,16,17,18);2-5,8-9,12H,6-7H2,(H,16,17,18);1-4,7-8,12H,5-6H2,(H,15,16,17).

What are the key properties of 5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine;2-(2,3-dihydro-1H-inden-2-ylamino)-N'-hydroxypyrimidine-5-carboximidamide;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,2,4-oxadiazol-5-yl]acetic acid;1-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,2,4-oxadiazol-5-yl]propan-2-one;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,2,4-oxadiazol-5-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;N-(2,3-dihydro-1H-inden-2-yl)-5-isocyanopyrimidin-2-amine?

5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine;2-(2,3-dihydro-1H-inden-2-ylamino)-N'-hydroxypyrimidine-5-carboximidamide;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,2,4-oxadiazol-5-yl]acetic acid;1-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,2,4-oxadiazol-5-yl]propan-2-one;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,2,4-oxadiazol-5-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;N-(2,3-dihydro-1H-inden-2-yl)-5-isocyanopyrimidin-2-amine has a molecular weight of 1911.93 g/mol, XLogP of 11.90, 22 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine;2-(2,3-dihydro-1H-inden-2-ylamino)-N'-hydroxypyrimidine-5-carboximidamide;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,2,4-oxadiazol-5-yl]acetic acid;1-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,2,4-oxadiazol-5-yl]propan-2-one;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,2,4-oxadiazol-5-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;N-(2,3-dihydro-1H-inden-2-yl)-5-isocyanopyrimidin-2-amine is sourced from PubChem (CID 172940884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).