3-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;cyclohexa-1,3-diene;3-[4-(6-fluoro-5-pyrimidin-2-yl-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one

C58H62FN9O4 — CID 157494584

About 3-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;cyclohexa-1,3-diene;3-[4-(6-fluoro-5-pyrimidin-2-yl-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one

3-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;cyclohexa-1,3-diene;3-[4-(6-fluoro-5-pyrimidin-2-yl-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 157494584) has the molecular formula C58H62FN9O4 and a molecular weight of 968.19 g/mol. Its IUPAC name is 3-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;cyclohexa-1,3-diene;3-[4-(6-fluoro-5-pyrimidin-2-yl-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;cyclohexa-1,3-diene;3-[4-(6-fluoro-5-pyrimidin-2-yl-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
• PubChem CID: 157494584
• Molecular Formula: C58H62FN9O4
• Molecular Weight: 968.19 g/mol
• Exact Mass: 967.49
• IUPAC Name: 3-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;cyclohexa-1,3-diene;3-[4-(6-fluoro-5-pyrimidin-2-yl-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
• SMILES: C1=CCCC=C1.CC1(C)OC(=O)N(C2CC=C(c3cnc(F)c(-c4ncccn4)c3)CC2)C1c1ccccc1.CC1(C)OC(=O)N(C2CCC(c3cnc(N)c(-c4ncccn4)c3)CC2)C1c1ccccc1
• InChI: InChI=1S/C26H25FN4O2.C26H29N5O2.C6H8/c2*1-26(2)22(18-7-4-3-5-8-18)31(25(32)33-26)20-11-9-17(10-12-20)19-15-21(23(27)30-16-19)24-28-13-6-14-29-24;1-2-4-6-5-3-1/h3-9,13-16,20,22H,10-12H2,1-2H3;3-8,13-17,20,22H,9-12H2,1-2H3,(H2,27,30);1-4H,5-6H2
• InChIKey: BXRDOOIWEATZGW-UHFFFAOYSA-N
• XLogP: 12.60
• TPSA: 162.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	968.19
LogP ≤ 5	12.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;cyclohexa-1,3-diene;3-[4-(6-fluoro-5-pyrimidin-2-yl-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?

The IUPAC name of 3-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;cyclohexa-1,3-diene;3-[4-(6-fluoro-5-pyrimidin-2-yl-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one (CID 157494584) is 3-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;cyclohexa-1,3-diene;3-[4-(6-fluoro-5-pyrimidin-2-yl-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one.

What is the SMILES notation for 3-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;cyclohexa-1,3-diene;3-[4-(6-fluoro-5-pyrimidin-2-yl-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?

The canonical SMILES for 3-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;cyclohexa-1,3-diene;3-[4-(6-fluoro-5-pyrimidin-2-yl-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one is C1=CCCC=C1.CC1(C)OC(=O)N(C2CC=C(c3cnc(F)c(-c4ncccn4)c3)CC2)C1c1ccccc1.CC1(C)OC(=O)N(C2CCC(c3cnc(N)c(-c4ncccn4)c3)CC2)C1c1ccccc1.

What is the InChIKey of 3-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;cyclohexa-1,3-diene;3-[4-(6-fluoro-5-pyrimidin-2-yl-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?

The InChIKey is BXRDOOIWEATZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O2.C26H29N5O2.C6H8/c2*1-26(2)22(18-7-4-3-5-8-18)31(25(32)33-26)20-11-9-17(10-12-20)19-15-21(23(27)30-16-19)24-28-13-6-14-29-24;1-2-4-6-5-3-1/h3-9,13-16,20,22H,10-12H2,1-2H3;3-8,13-17,20,22H,9-12H2,1-2H3,(H2,27,30);1-4H,5-6H2.

What are the key properties of 3-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;cyclohexa-1,3-diene;3-[4-(6-fluoro-5-pyrimidin-2-yl-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?

3-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;cyclohexa-1,3-diene;3-[4-(6-fluoro-5-pyrimidin-2-yl-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 968.19 g/mol, XLogP of 12.60, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;cyclohexa-1,3-diene;3-[4-(6-fluoro-5-pyrimidin-2-yl-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 157494584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).