6-(2-chloro-5-fluoropyrimidin-4-yl)-8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;2-chloro-5-nitropyridine;6-[4-(dimethylamino)piperidin-1-yl]pyridin-3-amine;N,N-dimethylcyclohexanamine;N,N-dimethyl-1-(5-nitro-2-pyridinyl)piperidin-4-amine;1-[5-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]-2-pyridinyl]-N,N-dimethylpiperidin-4-amine

C80H106Cl2F4N20O6 — CID 159876103

About 6-(2-chloro-5-fluoropyrimidin-4-yl)-8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;2-chloro-5-nitropyridine;6-[4-(dimethylamino)piperidin-1-yl]pyridin-3-amine;N,N-dimethylcyclohexanamine;N,N-dimethyl-1-(5-nitro-2-pyridinyl)piperidin-4-amine;1-[5-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]-2-pyridinyl]-N,N-dimethylpiperidin-4-amine

6-(2-chloro-5-fluoropyrimidin-4-yl)-8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;2-chloro-5-nitropyridine;6-[4-(dimethylamino)piperidin-1-yl]pyridin-3-amine;N,N-dimethylcyclohexanamine;N,N-dimethyl-1-(5-nitro-2-pyridinyl)piperidin-4-amine;1-[5-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]-2-pyridinyl]-N,N-dimethylpiperidin-4-amine (PubChem CID 159876103) has the molecular formula C80H106Cl2F4N20O6 and a molecular weight of 1590.76 g/mol. Its IUPAC name is 6-(2-chloro-5-fluoropyrimidin-4-yl)-8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;2-chloro-5-nitropyridine;6-[4-(dimethylamino)piperidin-1-yl]pyridin-3-amine;N,N-dimethylcyclohexanamine;N,N-dimethyl-1-(5-nitro-2-pyridinyl)piperidin-4-amine;1-[5-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]-2-pyridinyl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

• Compound Name: 6-(2-chloro-5-fluoropyrimidin-4-yl)-8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;2-chloro-5-nitropyridine;6-[4-(dimethylamino)piperidin-1-yl]pyridin-3-amine;N,N-dimethylcyclohexanamine;N,N-dimethyl-1-(5-nitro-2-pyridinyl)piperidin-4-amine;1-[5-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]-2-pyridinyl]-N,N-dimethylpiperidin-4-amine
• PubChem CID: 159876103
• Molecular Formula: C80H106Cl2F4N20O6
• Molecular Weight: 1590.76 g/mol
• Exact Mass: 1588.79
• IUPAC Name: 6-(2-chloro-5-fluoropyrimidin-4-yl)-8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;2-chloro-5-nitropyridine;6-[4-(dimethylamino)piperidin-1-yl]pyridin-3-amine;N,N-dimethylcyclohexanamine;N,N-dimethyl-1-(5-nitro-2-pyridinyl)piperidin-4-amine;1-[5-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]-2-pyridinyl]-N,N-dimethylpiperidin-4-amine
• SMILES: CC(C)N1CCOc2c(F)cc(-c3nc(Cc4ccc(N5CCC(N(C)C)CC5)nc4)ncc3F)cc21.CC(C)N1CCOc2c(F)cc(-c3nc(Cl)ncc3F)cc21.CN(C)C1CCCCC1.CN(C)C1CCN(c2ccc(N)cn2)CC1.CN(C)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1.O=[N+]([O-])c1ccc(Cl)nc1
• InChI: InChI=1S/C28H34F2N6O.C15H14ClF2N3O.C12H18N4O2.C12H20N4.C8H17N.C5H3ClN2O2/c1-18(2)36-11-12-37-28-22(29)14-20(15-24(28)36)27-23(30)17-31-25(33-27)13-19-5-6-26(32-16-19)35-9-7-21(8-10-35)34(3)4;1-8(2)21-3-4-22-14-10(17)5-9(6-12(14)21)13-11(18)7-19-15(16)20-13;1-14(2)10-5-7-15(8-6-10)12-4-3-11(9-13-12)16(17)18;1-15(2)11-5-7-16(8-6-11)12-4-3-10(13)9-14-12;1-9(2)8-6-4-3-5-7-8;6-5-2-1-4(3-7-5)8(9)10/h5-6,14-18,21H,7-13H2,1-4H3;5-8H,3-4H2,1-2H3;3-4,9-10H,5-8H2,1-2H3;3-4,9,11H,5-8,13H2,1-2H3;8H,3-7H2,1-2H3;1-3H
• InChIKey: NSXRQOAARCOGKR-UHFFFAOYSA-N
• XLogP: 14.47
• TPSA: 263.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 24
• Rotatable Bonds: 15
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1590.76
LogP ≤ 5	14.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-5-fluoropyrimidin-4-yl)-8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;2-chloro-5-nitropyridine;6-[4-(dimethylamino)piperidin-1-yl]pyridin-3-amine;N,N-dimethylcyclohexanamine;N,N-dimethyl-1-(5-nitro-2-pyridinyl)piperidin-4-amine;1-[5-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]-2-pyridinyl]-N,N-dimethylpiperidin-4-amine?

The IUPAC name of 6-(2-chloro-5-fluoropyrimidin-4-yl)-8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;2-chloro-5-nitropyridine;6-[4-(dimethylamino)piperidin-1-yl]pyridin-3-amine;N,N-dimethylcyclohexanamine;N,N-dimethyl-1-(5-nitro-2-pyridinyl)piperidin-4-amine;1-[5-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]-2-pyridinyl]-N,N-dimethylpiperidin-4-amine (CID 159876103) is 6-(2-chloro-5-fluoropyrimidin-4-yl)-8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;2-chloro-5-nitropyridine;6-[4-(dimethylamino)piperidin-1-yl]pyridin-3-amine;N,N-dimethylcyclohexanamine;N,N-dimethyl-1-(5-nitro-2-pyridinyl)piperidin-4-amine;1-[5-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]-2-pyridinyl]-N,N-dimethylpiperidin-4-amine.

What is the SMILES notation for 6-(2-chloro-5-fluoropyrimidin-4-yl)-8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;2-chloro-5-nitropyridine;6-[4-(dimethylamino)piperidin-1-yl]pyridin-3-amine;N,N-dimethylcyclohexanamine;N,N-dimethyl-1-(5-nitro-2-pyridinyl)piperidin-4-amine;1-[5-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]-2-pyridinyl]-N,N-dimethylpiperidin-4-amine?

The canonical SMILES for 6-(2-chloro-5-fluoropyrimidin-4-yl)-8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;2-chloro-5-nitropyridine;6-[4-(dimethylamino)piperidin-1-yl]pyridin-3-amine;N,N-dimethylcyclohexanamine;N,N-dimethyl-1-(5-nitro-2-pyridinyl)piperidin-4-amine;1-[5-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]-2-pyridinyl]-N,N-dimethylpiperidin-4-amine is CC(C)N1CCOc2c(F)cc(-c3nc(Cc4ccc(N5CCC(N(C)C)CC5)nc4)ncc3F)cc21.CC(C)N1CCOc2c(F)cc(-c3nc(Cl)ncc3F)cc21.CN(C)C1CCCCC1.CN(C)C1CCN(c2ccc(N)cn2)CC1.CN(C)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1.O=[N+]([O-])c1ccc(Cl)nc1.

What is the InChIKey of 6-(2-chloro-5-fluoropyrimidin-4-yl)-8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;2-chloro-5-nitropyridine;6-[4-(dimethylamino)piperidin-1-yl]pyridin-3-amine;N,N-dimethylcyclohexanamine;N,N-dimethyl-1-(5-nitro-2-pyridinyl)piperidin-4-amine;1-[5-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]-2-pyridinyl]-N,N-dimethylpiperidin-4-amine?

The InChIKey is NSXRQOAARCOGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34F2N6O.C15H14ClF2N3O.C12H18N4O2.C12H20N4.C8H17N.C5H3ClN2O2/c1-18(2)36-11-12-37-28-22(29)14-20(15-24(28)36)27-23(30)17-31-25(33-27)13-19-5-6-26(32-16-19)35-9-7-21(8-10-35)34(3)4;1-8(2)21-3-4-22-14-10(17)5-9(6-12(14)21)13-11(18)7-19-15(16)20-13;1-14(2)10-5-7-15(8-6-10)12-4-3-11(9-13-12)16(17)18;1-15(2)11-5-7-16(8-6-11)12-4-3-10(13)9-14-12;1-9(2)8-6-4-3-5-7-8;6-5-2-1-4(3-7-5)8(9)10/h5-6,14-18,21H,7-13H2,1-4H3;5-8H,3-4H2,1-2H3;3-4,9-10H,5-8H2,1-2H3;3-4,9,11H,5-8,13H2,1-2H3;8H,3-7H2,1-2H3;1-3H.

What are the key properties of 6-(2-chloro-5-fluoropyrimidin-4-yl)-8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;2-chloro-5-nitropyridine;6-[4-(dimethylamino)piperidin-1-yl]pyridin-3-amine;N,N-dimethylcyclohexanamine;N,N-dimethyl-1-(5-nitro-2-pyridinyl)piperidin-4-amine;1-[5-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]-2-pyridinyl]-N,N-dimethylpiperidin-4-amine?

6-(2-chloro-5-fluoropyrimidin-4-yl)-8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;2-chloro-5-nitropyridine;6-[4-(dimethylamino)piperidin-1-yl]pyridin-3-amine;N,N-dimethylcyclohexanamine;N,N-dimethyl-1-(5-nitro-2-pyridinyl)piperidin-4-amine;1-[5-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]-2-pyridinyl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 1590.76 g/mol, XLogP of 14.47, 15 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-chloro-5-fluoropyrimidin-4-yl)-8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;2-chloro-5-nitropyridine;6-[4-(dimethylamino)piperidin-1-yl]pyridin-3-amine;N,N-dimethylcyclohexanamine;N,N-dimethyl-1-(5-nitro-2-pyridinyl)piperidin-4-amine;1-[5-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]-2-pyridinyl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 159876103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).