(4R)-3-[4-(6-amino-5-bromo-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-3-[4-[6-amino-5-(pyrimidin-2-ylamino)-3-pyridinyl]cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-5,5-dimethyl-3-[4-(2-oxo-1-pyrimidin-2-yl-3H-imidazo[4,5-b]pyridin-6-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one;pyrimidin-2-amine

C₇₉H₈₉BrN₁₈O₇ — CID 159864021

About (4R)-3-[4-(6-amino-5-bromo-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-3-[4-[6-amino-5-(pyrimidin-2-ylamino)-3-pyridinyl]cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-5,5-dimethyl-3-[4-(2-oxo-1-pyrimidin-2-yl-3H-imidazo[4,5-b]pyridin-6-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one;pyrimidin-2-amine

(4R)-3-[4-(6-amino-5-bromo-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-3-[4-[6-amino-5-(pyrimidin-2-ylamino)-3-pyridinyl]cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-5,5-dimethyl-3-[4-(2-oxo-1-pyrimidin-2-yl-3H-imidazo[4,5-b]pyridin-6-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one;pyrimidin-2-amine (PubChem CID 159864021) has the molecular formula C₇₉H₈₉BrN₁₈O₇ and a molecular weight of 1482.60 g/mol. Its IUPAC name is (4R)-3-[4-(6-amino-5-bromo-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-3-[4-[6-amino-5-(pyrimidin-2-ylamino)-3-pyridinyl]cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-5,5-dimethyl-3-[4-(2-oxo-1-pyrimidin-2-yl-3H-imidazo[4,5-b]pyridin-6-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one;pyrimidin-2-amine.

Molecular Properties

• Compound Name: (4R)-3-[4-(6-amino-5-bromo-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-3-[4-[6-amino-5-(pyrimidin-2-ylamino)-3-pyridinyl]cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-5,5-dimethyl-3-[4-(2-oxo-1-pyrimidin-2-yl-3H-imidazo[4,5-b]pyridin-6-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one;pyrimidin-2-amine
• PubChem CID: 159864021
• Molecular Formula: C₇₉H₈₉BrN₁₈O₇
• Molecular Weight: 1482.60 g/mol
• Exact Mass: 1480.63
• IUPAC Name: (4R)-3-[4-(6-amino-5-bromo-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-3-[4-[6-amino-5-(pyrimidin-2-ylamino)-3-pyridinyl]cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-5,5-dimethyl-3-[4-(2-oxo-1-pyrimidin-2-yl-3H-imidazo[4,5-b]pyridin-6-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one;pyrimidin-2-amine
• SMILES: CC1(C)OC(=O)N(C2CCC(c3cnc(N)c(Br)c3)CC2)[C@@H]1c1ccccc1.CC1(C)OC(=O)N(C2CCC(c3cnc(N)c(Nc4ncccn4)c3)CC2)[C@@H]1c1ccccc1.CC1(C)OC(=O)N(C2CCC(c3cnc4[nH]c(=O)n(-c5ncccn5)c4c3)CC2)[C@@H]1c1ccccc1.Nc1ncccn1
• InChI: InChI=1S/C27H28N6O3.C26H30N6O2.C22H26BrN3O2.C4H5N3/c1-27(2)22(18-7-4-3-5-8-18)32(26(35)36-27)20-11-9-17(10-12-20)19-15-21-23(30-16-19)31-25(34)33(21)24-28-13-6-14-29-24;1-26(2)22(18-7-4-3-5-8-18)32(25(33)34-26)20-11-9-17(10-12-20)19-15-21(23(27)30-16-19)31-24-28-13-6-14-29-24;1-22(2)19(15-6-4-3-5-7-15)26(21(27)28-22)17-10-8-14(9-11-17)16-12-18(23)20(24)25-13-16;5-4-6-2-1-3-7-4/h3-8,13-17,20,22H,9-12H2,1-2H3,(H,30,31,34);3-8,13-17,20,22H,9-12H2,1-2H3,(H2,27,30)(H,28,29,31);3-7,12-14,17,19H,8-11H2,1-2H3,(H2,24,25);1-3H,(H2,5,6,7)/t2*17?,20?,22-;14?,17?,19-;/m111./s1
• InChIKey: NRMVQGSHVMHSSV-BPOFIDJCSA-N
• XLogP: 15.18
• TPSA: 332.51 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 12
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1482.60
LogP ≤ 5	15.18
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[4-(6-amino-5-bromo-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-3-[4-[6-amino-5-(pyrimidin-2-ylamino)-3-pyridinyl]cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-5,5-dimethyl-3-[4-(2-oxo-1-pyrimidin-2-yl-3H-imidazo[4,5-b]pyridin-6-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one;pyrimidin-2-amine?

The IUPAC name of (4R)-3-[4-(6-amino-5-bromo-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-3-[4-[6-amino-5-(pyrimidin-2-ylamino)-3-pyridinyl]cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-5,5-dimethyl-3-[4-(2-oxo-1-pyrimidin-2-yl-3H-imidazo[4,5-b]pyridin-6-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one;pyrimidin-2-amine (CID 159864021) is (4R)-3-[4-(6-amino-5-bromo-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-3-[4-[6-amino-5-(pyrimidin-2-ylamino)-3-pyridinyl]cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-5,5-dimethyl-3-[4-(2-oxo-1-pyrimidin-2-yl-3H-imidazo[4,5-b]pyridin-6-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one;pyrimidin-2-amine.

What is the SMILES notation for (4R)-3-[4-(6-amino-5-bromo-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-3-[4-[6-amino-5-(pyrimidin-2-ylamino)-3-pyridinyl]cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-5,5-dimethyl-3-[4-(2-oxo-1-pyrimidin-2-yl-3H-imidazo[4,5-b]pyridin-6-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one;pyrimidin-2-amine?

The canonical SMILES for (4R)-3-[4-(6-amino-5-bromo-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-3-[4-[6-amino-5-(pyrimidin-2-ylamino)-3-pyridinyl]cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-5,5-dimethyl-3-[4-(2-oxo-1-pyrimidin-2-yl-3H-imidazo[4,5-b]pyridin-6-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one;pyrimidin-2-amine is CC1(C)OC(=O)N(C2CCC(c3cnc(N)c(Br)c3)CC2)[C@@H]1c1ccccc1.CC1(C)OC(=O)N(C2CCC(c3cnc(N)c(Nc4ncccn4)c3)CC2)[C@@H]1c1ccccc1.CC1(C)OC(=O)N(C2CCC(c3cnc4[nH]c(=O)n(-c5ncccn5)c4c3)CC2)[C@@H]1c1ccccc1.Nc1ncccn1.

What is the InChIKey of (4R)-3-[4-(6-amino-5-bromo-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-3-[4-[6-amino-5-(pyrimidin-2-ylamino)-3-pyridinyl]cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-5,5-dimethyl-3-[4-(2-oxo-1-pyrimidin-2-yl-3H-imidazo[4,5-b]pyridin-6-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one;pyrimidin-2-amine?

The InChIKey is NRMVQGSHVMHSSV-BPOFIDJCSA-N. The full InChI is InChI=1S/C27H28N6O3.C26H30N6O2.C22H26BrN3O2.C4H5N3/c1-27(2)22(18-7-4-3-5-8-18)32(26(35)36-27)20-11-9-17(10-12-20)19-15-21-23(30-16-19)31-25(34)33(21)24-28-13-6-14-29-24;1-26(2)22(18-7-4-3-5-8-18)32(25(33)34-26)20-11-9-17(10-12-20)19-15-21(23(27)30-16-19)31-24-28-13-6-14-29-24;1-22(2)19(15-6-4-3-5-7-15)26(21(27)28-22)17-10-8-14(9-11-17)16-12-18(23)20(24)25-13-16;5-4-6-2-1-3-7-4/h3-8,13-17,20,22H,9-12H2,1-2H3,(H,30,31,34);3-8,13-17,20,22H,9-12H2,1-2H3,(H2,27,30)(H,28,29,31);3-7,12-14,17,19H,8-11H2,1-2H3,(H2,24,25);1-3H,(H2,5,6,7)/t2*17?,20?,22-;14?,17?,19-;/m111./s1.

What are the key properties of (4R)-3-[4-(6-amino-5-bromo-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-3-[4-[6-amino-5-(pyrimidin-2-ylamino)-3-pyridinyl]cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-5,5-dimethyl-3-[4-(2-oxo-1-pyrimidin-2-yl-3H-imidazo[4,5-b]pyridin-6-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one;pyrimidin-2-amine?

(4R)-3-[4-(6-amino-5-bromo-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-3-[4-[6-amino-5-(pyrimidin-2-ylamino)-3-pyridinyl]cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-5,5-dimethyl-3-[4-(2-oxo-1-pyrimidin-2-yl-3H-imidazo[4,5-b]pyridin-6-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one;pyrimidin-2-amine has a molecular weight of 1482.60 g/mol, XLogP of 15.18, 12 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-3-[4-(6-amino-5-bromo-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-3-[4-[6-amino-5-(pyrimidin-2-ylamino)-3-pyridinyl]cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-5,5-dimethyl-3-[4-(2-oxo-1-pyrimidin-2-yl-3H-imidazo[4,5-b]pyridin-6-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one;pyrimidin-2-amine is sourced from PubChem (CID 159864021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159864021 — identifiers, structure, computed properties (public domain)

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