N,N-dimethyl-2-propan-2-ylpyrimidin-4-amine;5-fluoro-2-propan-2-ylpyridine;1-hydroxy-4-propan-2-yl-3H-2,1-benzoxaborole;methane;6-methyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;2-methyl-6-propan-2-ylindazole;bis(4-methyl-2-propan-2-yl-6-(2,2,2-trifluoroethoxy)pyrimidine);5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole

C94H128BF7N16O6 — CID 159174788

About N,N-dimethyl-2-propan-2-ylpyrimidin-4-amine;5-fluoro-2-propan-2-ylpyridine;1-hydroxy-4-propan-2-yl-3H-2,1-benzoxaborole;methane;6-methyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;2-methyl-6-propan-2-ylindazole;bis(4-methyl-2-propan-2-yl-6-(2,2,2-trifluoroethoxy)pyrimidine);5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole

N,N-dimethyl-2-propan-2-ylpyrimidin-4-amine;5-fluoro-2-propan-2-ylpyridine;1-hydroxy-4-propan-2-yl-3H-2,1-benzoxaborole;methane;6-methyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;2-methyl-6-propan-2-ylindazole;bis(4-methyl-2-propan-2-yl-6-(2,2,2-trifluoroethoxy)pyrimidine);5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole (PubChem CID 159174788) has the molecular formula C94H128BF7N16O6 and a molecular weight of 1721.96 g/mol. Its IUPAC name is N,N-dimethyl-2-propan-2-ylpyrimidin-4-amine;5-fluoro-2-propan-2-ylpyridine;1-hydroxy-4-propan-2-yl-3H-2,1-benzoxaborole;methane;6-methyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;2-methyl-6-propan-2-ylindazole;bis(4-methyl-2-propan-2-yl-6-(2,2,2-trifluoroethoxy)pyrimidine);5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole.

Molecular Properties

• Compound Name: N,N-dimethyl-2-propan-2-ylpyrimidin-4-amine;5-fluoro-2-propan-2-ylpyridine;1-hydroxy-4-propan-2-yl-3H-2,1-benzoxaborole;methane;6-methyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;2-methyl-6-propan-2-ylindazole;bis(4-methyl-2-propan-2-yl-6-(2,2,2-trifluoroethoxy)pyrimidine);5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole
• PubChem CID: 159174788
• Molecular Formula: C94H128BF7N16O6
• Molecular Weight: 1721.96 g/mol
• Exact Mass: 1721.02
• IUPAC Name: N,N-dimethyl-2-propan-2-ylpyrimidin-4-amine;5-fluoro-2-propan-2-ylpyridine;1-hydroxy-4-propan-2-yl-3H-2,1-benzoxaborole;methane;6-methyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;2-methyl-6-propan-2-ylindazole;bis(4-methyl-2-propan-2-yl-6-(2,2,2-trifluoroethoxy)pyrimidine);5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole
• SMILES: C.C.CC(C)c1cc(-c2cnco2)ccn1.CC(C)c1ccc(F)cn1.CC(C)c1ccc2cn(C)nc2c1.CC(C)c1cccc(-c2cnco2)n1.CC(C)c1cccc2c1COB2O.CC(C)c1cnc2c(c1)CN(C)CC2.CC(C)c1nccc(N(C)C)n1.Cc1cc(OCC(F)(F)F)nc(C(C)C)n1.Cc1cc(OCC(F)(F)F)nc(C(C)C)n1
• InChI: InChI=1S/C12H18N2.2C11H12N2O.C11H14N2.C10H13BO2.2C10H13F3N2O.C9H15N3.C8H10FN.2CH4/c1-9(2)10-6-11-8-14(3)5-4-12(11)13-7-10;1-8(2)10-5-9(3-4-13-10)11-6-12-7-14-11;1-8(2)9-4-3-5-10(13-9)11-6-12-7-14-11;1-8(2)9-4-5-10-7-13(3)12-11(10)6-9;1-7(2)8-4-3-5-10-9(8)6-13-11(10)12;2*1-6(2)9-14-7(3)4-8(15-9)16-5-10(11,12)13;1-7(2)9-10-6-5-8(11-9)12(3)4;1-6(2)8-4-3-7(9)5-10-8;;/h6-7,9H,4-5,8H2,1-3H3;2*3-8H,1-2H3;4-8H,1-3H3;3-5,7,12H,6H2,1-2H3;2*4,6H,5H2,1-3H3;5-7H,1-4H3;3-6H,1-2H3;2*1H4
• InChIKey: KMDFNDMNMZJINP-UHFFFAOYSA-N
• XLogP: 22.62
• TPSA: 253.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Rotatable Bonds: 16
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1721.96
LogP ≤ 5	22.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-propan-2-ylpyrimidin-4-amine;5-fluoro-2-propan-2-ylpyridine;1-hydroxy-4-propan-2-yl-3H-2,1-benzoxaborole;methane;6-methyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;2-methyl-6-propan-2-ylindazole;bis(4-methyl-2-propan-2-yl-6-(2,2,2-trifluoroethoxy)pyrimidine);5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole?

The IUPAC name of N,N-dimethyl-2-propan-2-ylpyrimidin-4-amine;5-fluoro-2-propan-2-ylpyridine;1-hydroxy-4-propan-2-yl-3H-2,1-benzoxaborole;methane;6-methyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;2-methyl-6-propan-2-ylindazole;bis(4-methyl-2-propan-2-yl-6-(2,2,2-trifluoroethoxy)pyrimidine);5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole (CID 159174788) is N,N-dimethyl-2-propan-2-ylpyrimidin-4-amine;5-fluoro-2-propan-2-ylpyridine;1-hydroxy-4-propan-2-yl-3H-2,1-benzoxaborole;methane;6-methyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;2-methyl-6-propan-2-ylindazole;bis(4-methyl-2-propan-2-yl-6-(2,2,2-trifluoroethoxy)pyrimidine);5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole.

What is the SMILES notation for N,N-dimethyl-2-propan-2-ylpyrimidin-4-amine;5-fluoro-2-propan-2-ylpyridine;1-hydroxy-4-propan-2-yl-3H-2,1-benzoxaborole;methane;6-methyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;2-methyl-6-propan-2-ylindazole;bis(4-methyl-2-propan-2-yl-6-(2,2,2-trifluoroethoxy)pyrimidine);5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole?

The canonical SMILES for N,N-dimethyl-2-propan-2-ylpyrimidin-4-amine;5-fluoro-2-propan-2-ylpyridine;1-hydroxy-4-propan-2-yl-3H-2,1-benzoxaborole;methane;6-methyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;2-methyl-6-propan-2-ylindazole;bis(4-methyl-2-propan-2-yl-6-(2,2,2-trifluoroethoxy)pyrimidine);5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole is C.C.CC(C)c1cc(-c2cnco2)ccn1.CC(C)c1ccc(F)cn1.CC(C)c1ccc2cn(C)nc2c1.CC(C)c1cccc(-c2cnco2)n1.CC(C)c1cccc2c1COB2O.CC(C)c1cnc2c(c1)CN(C)CC2.CC(C)c1nccc(N(C)C)n1.Cc1cc(OCC(F)(F)F)nc(C(C)C)n1.Cc1cc(OCC(F)(F)F)nc(C(C)C)n1.

What is the InChIKey of N,N-dimethyl-2-propan-2-ylpyrimidin-4-amine;5-fluoro-2-propan-2-ylpyridine;1-hydroxy-4-propan-2-yl-3H-2,1-benzoxaborole;methane;6-methyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;2-methyl-6-propan-2-ylindazole;bis(4-methyl-2-propan-2-yl-6-(2,2,2-trifluoroethoxy)pyrimidine);5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole?

The InChIKey is KMDFNDMNMZJINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2.2C11H12N2O.C11H14N2.C10H13BO2.2C10H13F3N2O.C9H15N3.C8H10FN.2CH4/c1-9(2)10-6-11-8-14(3)5-4-12(11)13-7-10;1-8(2)10-5-9(3-4-13-10)11-6-12-7-14-11;1-8(2)9-4-3-5-10(13-9)11-6-12-7-14-11;1-8(2)9-4-5-10-7-13(3)12-11(10)6-9;1-7(2)8-4-3-5-10-9(8)6-13-11(10)12;2*1-6(2)9-14-7(3)4-8(15-9)16-5-10(11,12)13;1-7(2)9-10-6-5-8(11-9)12(3)4;1-6(2)8-4-3-7(9)5-10-8;;/h6-7,9H,4-5,8H2,1-3H3;2*3-8H,1-2H3;4-8H,1-3H3;3-5,7,12H,6H2,1-2H3;2*4,6H,5H2,1-3H3;5-7H,1-4H3;3-6H,1-2H3;2*1H4.

What are the key properties of N,N-dimethyl-2-propan-2-ylpyrimidin-4-amine;5-fluoro-2-propan-2-ylpyridine;1-hydroxy-4-propan-2-yl-3H-2,1-benzoxaborole;methane;6-methyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;2-methyl-6-propan-2-ylindazole;bis(4-methyl-2-propan-2-yl-6-(2,2,2-trifluoroethoxy)pyrimidine);5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole?

N,N-dimethyl-2-propan-2-ylpyrimidin-4-amine;5-fluoro-2-propan-2-ylpyridine;1-hydroxy-4-propan-2-yl-3H-2,1-benzoxaborole;methane;6-methyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;2-methyl-6-propan-2-ylindazole;bis(4-methyl-2-propan-2-yl-6-(2,2,2-trifluoroethoxy)pyrimidine);5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole has a molecular weight of 1721.96 g/mol, XLogP of 22.62, 16 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-2-propan-2-ylpyrimidin-4-amine;5-fluoro-2-propan-2-ylpyridine;1-hydroxy-4-propan-2-yl-3H-2,1-benzoxaborole;methane;6-methyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;2-methyl-6-propan-2-ylindazole;bis(4-methyl-2-propan-2-yl-6-(2,2,2-trifluoroethoxy)pyrimidine);5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole is sourced from PubChem (CID 159174788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).