N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2-fluoro-3-methyl-5-propan-2-ylpyridine;3-isocyano-1-propan-2-ylpyrrole;methane;4-methyl-1-propan-2-ylimidazole;2-methyl-5-(3-propan-2-ylphenyl)-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;3-methyl-1-propan-2-ylpyrrole;4-methyl-2-propan-2-ylthiophene;3-methylsulfonyl-5-propan-2-ylpyridine;(1-propan-2-ylimidazol-4-yl)methanol;(1-propan-2-ylpyrazol-4-yl)methanol;5-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;3-propan-2-yl-2-(trifluoromethyl)pyridine

C164H260F4N24O6S4 — CID 159583503

About N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2-fluoro-3-methyl-5-propan-2-ylpyridine;3-isocyano-1-propan-2-ylpyrrole;methane;4-methyl-1-propan-2-ylimidazole;2-methyl-5-(3-propan-2-ylphenyl)-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;3-methyl-1-propan-2-ylpyrrole;4-methyl-2-propan-2-ylthiophene;3-methylsulfonyl-5-propan-2-ylpyridine;(1-propan-2-ylimidazol-4-yl)methanol;(1-propan-2-ylpyrazol-4-yl)methanol;5-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;3-propan-2-yl-2-(trifluoromethyl)pyridine

N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2-fluoro-3-methyl-5-propan-2-ylpyridine;3-isocyano-1-propan-2-ylpyrrole;methane;4-methyl-1-propan-2-ylimidazole;2-methyl-5-(3-propan-2-ylphenyl)-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;3-methyl-1-propan-2-ylpyrrole;4-methyl-2-propan-2-ylthiophene;3-methylsulfonyl-5-propan-2-ylpyridine;(1-propan-2-ylimidazol-4-yl)methanol;(1-propan-2-ylpyrazol-4-yl)methanol;5-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;3-propan-2-yl-2-(trifluoromethyl)pyridine (PubChem CID 159583503) has the molecular formula C164H260F4N24O6S4 and a molecular weight of 2868.31 g/mol. Its IUPAC name is N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2-fluoro-3-methyl-5-propan-2-ylpyridine;3-isocyano-1-propan-2-ylpyrrole;methane;4-methyl-1-propan-2-ylimidazole;2-methyl-5-(3-propan-2-ylphenyl)-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;3-methyl-1-propan-2-ylpyrrole;4-methyl-2-propan-2-ylthiophene;3-methylsulfonyl-5-propan-2-ylpyridine;(1-propan-2-ylimidazol-4-yl)methanol;(1-propan-2-ylpyrazol-4-yl)methanol;5-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;3-propan-2-yl-2-(trifluoromethyl)pyridine.

Molecular Properties

• Compound Name: N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2-fluoro-3-methyl-5-propan-2-ylpyridine;3-isocyano-1-propan-2-ylpyrrole;methane;4-methyl-1-propan-2-ylimidazole;2-methyl-5-(3-propan-2-ylphenyl)-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;3-methyl-1-propan-2-ylpyrrole;4-methyl-2-propan-2-ylthiophene;3-methylsulfonyl-5-propan-2-ylpyridine;(1-propan-2-ylimidazol-4-yl)methanol;(1-propan-2-ylpyrazol-4-yl)methanol;5-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;3-propan-2-yl-2-(trifluoromethyl)pyridine
• PubChem CID: 159583503
• Molecular Formula: C164H260F4N24O6S4
• Molecular Weight: 2868.31 g/mol
• Exact Mass: 2865.96
• IUPAC Name: N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2-fluoro-3-methyl-5-propan-2-ylpyridine;3-isocyano-1-propan-2-ylpyrrole;methane;4-methyl-1-propan-2-ylimidazole;2-methyl-5-(3-propan-2-ylphenyl)-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;3-methyl-1-propan-2-ylpyrrole;4-methyl-2-propan-2-ylthiophene;3-methylsulfonyl-5-propan-2-ylpyridine;(1-propan-2-ylimidazol-4-yl)methanol;(1-propan-2-ylpyrazol-4-yl)methanol;5-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;3-propan-2-yl-2-(trifluoromethyl)pyridine
• SMILES: C.C.C.C.C.C.C.C.CC(C)C1=CCN=C1.CC(C)c1ccc(=O)[nH]c1.CC(C)c1cccnc1C(F)(F)F.CC(C)c1cccs1.CC(C)c1ccsc1.CC(C)c1cnc(N(C)C)nc1.CC(C)c1cncc(S(C)(=O)=O)c1.CC(C)c1cnn(C)c1.CC(C)n1cc(CO)cn1.CC(C)n1cnc(CO)c1.Cc1cc(C(C)C)cnc1F.Cc1ccn(C(C)C)c1.Cc1ccncc1C(C)C.Cc1cn(C(C)C)cn1.Cc1cncc(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1csc(C(C)C)c1.Cc1nnc(-c2cccc(C(C)C)c2)o1.[C-]#[N+]c1ccn(C(C)C)c1
• InChI: InChI=1S/C12H14N2O.C9H10F3N.C9H12FN.C9H15N3.C9H13NO2S.3C9H13N.C8H10N2.C8H11NO.C8H13N.C8H12S.2C7H12N2O.2C7H12N2.C7H11N.2C7H10S.8CH4/c1-8(2)10-5-4-6-11(7-10)12-14-13-9(3)15-12;1-6(2)7-4-3-5-13-8(7)9(10,11)12;1-6(2)8-4-7(3)9(10)11-5-8;1-7(2)8-5-10-9(11-6-8)12(3)4;1-7(2)8-4-9(6-10-5-8)13(3,11)12;2*1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-6-10-5-4-8(9)3;1-7(2)10-5-4-8(6-10)9-3;1-6(2)7-3-4-8(10)9-5-7;1-7(2)9-5-4-8(3)6-9;1-6(2)8-4-7(3)5-9-8;1-6(2)9-3-7(4-10)8-5-9;1-6(2)9-4-7(5-10)3-8-9;1-6(2)7-4-8-9(3)5-7;1-6(2)9-4-7(3)8-5-9;2*1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;;;;;;;;/h4-8H,1-3H3;3-6H,1-2H3;4-6H,1-3H3;5-7H,1-4H3;4-7H,1-3H3;3*4-7H,1-3H3;4-7H,1-2H3;3-6H,1-2H3,(H,9,10);4-7H,1-3H3;4-6H,1-3H3;3,5-6,10H,4H2,1-2H3;3-4,6,10H,5H2,1-2H3;2*4-6H,1-3H3;3,5-6H,4H2,1-2H3;2*3-6H,1-2H3;8*1H4
• InChIKey: MJHWZVDWVONXBW-UHFFFAOYSA-N
• XLogP: 47.25
• TPSA: 350.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 31
• Rotatable Bonds: 24
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2868.31
LogP ≤ 5	47.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2-fluoro-3-methyl-5-propan-2-ylpyridine;3-isocyano-1-propan-2-ylpyrrole;methane;4-methyl-1-propan-2-ylimidazole;2-methyl-5-(3-propan-2-ylphenyl)-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;3-methyl-1-propan-2-ylpyrrole;4-methyl-2-propan-2-ylthiophene;3-methylsulfonyl-5-propan-2-ylpyridine;(1-propan-2-ylimidazol-4-yl)methanol;(1-propan-2-ylpyrazol-4-yl)methanol;5-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;3-propan-2-yl-2-(trifluoromethyl)pyridine?

The IUPAC name of N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2-fluoro-3-methyl-5-propan-2-ylpyridine;3-isocyano-1-propan-2-ylpyrrole;methane;4-methyl-1-propan-2-ylimidazole;2-methyl-5-(3-propan-2-ylphenyl)-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;3-methyl-1-propan-2-ylpyrrole;4-methyl-2-propan-2-ylthiophene;3-methylsulfonyl-5-propan-2-ylpyridine;(1-propan-2-ylimidazol-4-yl)methanol;(1-propan-2-ylpyrazol-4-yl)methanol;5-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;3-propan-2-yl-2-(trifluoromethyl)pyridine (CID 159583503) is N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2-fluoro-3-methyl-5-propan-2-ylpyridine;3-isocyano-1-propan-2-ylpyrrole;methane;4-methyl-1-propan-2-ylimidazole;2-methyl-5-(3-propan-2-ylphenyl)-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;3-methyl-1-propan-2-ylpyrrole;4-methyl-2-propan-2-ylthiophene;3-methylsulfonyl-5-propan-2-ylpyridine;(1-propan-2-ylimidazol-4-yl)methanol;(1-propan-2-ylpyrazol-4-yl)methanol;5-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;3-propan-2-yl-2-(trifluoromethyl)pyridine.

What is the SMILES notation for N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2-fluoro-3-methyl-5-propan-2-ylpyridine;3-isocyano-1-propan-2-ylpyrrole;methane;4-methyl-1-propan-2-ylimidazole;2-methyl-5-(3-propan-2-ylphenyl)-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;3-methyl-1-propan-2-ylpyrrole;4-methyl-2-propan-2-ylthiophene;3-methylsulfonyl-5-propan-2-ylpyridine;(1-propan-2-ylimidazol-4-yl)methanol;(1-propan-2-ylpyrazol-4-yl)methanol;5-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;3-propan-2-yl-2-(trifluoromethyl)pyridine?

The canonical SMILES for N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2-fluoro-3-methyl-5-propan-2-ylpyridine;3-isocyano-1-propan-2-ylpyrrole;methane;4-methyl-1-propan-2-ylimidazole;2-methyl-5-(3-propan-2-ylphenyl)-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;3-methyl-1-propan-2-ylpyrrole;4-methyl-2-propan-2-ylthiophene;3-methylsulfonyl-5-propan-2-ylpyridine;(1-propan-2-ylimidazol-4-yl)methanol;(1-propan-2-ylpyrazol-4-yl)methanol;5-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;3-propan-2-yl-2-(trifluoromethyl)pyridine is C.C.C.C.C.C.C.C.CC(C)C1=CCN=C1.CC(C)c1ccc(=O)[nH]c1.CC(C)c1cccnc1C(F)(F)F.CC(C)c1cccs1.CC(C)c1ccsc1.CC(C)c1cnc(N(C)C)nc1.CC(C)c1cncc(S(C)(=O)=O)c1.CC(C)c1cnn(C)c1.CC(C)n1cc(CO)cn1.CC(C)n1cnc(CO)c1.Cc1cc(C(C)C)cnc1F.Cc1ccn(C(C)C)c1.Cc1ccncc1C(C)C.Cc1cn(C(C)C)cn1.Cc1cncc(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1csc(C(C)C)c1.Cc1nnc(-c2cccc(C(C)C)c2)o1.[C-]#[N+]c1ccn(C(C)C)c1.

What is the InChIKey of N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2-fluoro-3-methyl-5-propan-2-ylpyridine;3-isocyano-1-propan-2-ylpyrrole;methane;4-methyl-1-propan-2-ylimidazole;2-methyl-5-(3-propan-2-ylphenyl)-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;3-methyl-1-propan-2-ylpyrrole;4-methyl-2-propan-2-ylthiophene;3-methylsulfonyl-5-propan-2-ylpyridine;(1-propan-2-ylimidazol-4-yl)methanol;(1-propan-2-ylpyrazol-4-yl)methanol;5-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;3-propan-2-yl-2-(trifluoromethyl)pyridine?

The InChIKey is MJHWZVDWVONXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O.C9H10F3N.C9H12FN.C9H15N3.C9H13NO2S.3C9H13N.C8H10N2.C8H11NO.C8H13N.C8H12S.2C7H12N2O.2C7H12N2.C7H11N.2C7H10S.8CH4/c1-8(2)10-5-4-6-11(7-10)12-14-13-9(3)15-12;1-6(2)7-4-3-5-13-8(7)9(10,11)12;1-6(2)8-4-7(3)9(10)11-5-8;1-7(2)8-5-10-9(11-6-8)12(3)4;1-7(2)8-4-9(6-10-5-8)13(3,11)12;2*1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-6-10-5-4-8(9)3;1-7(2)10-5-4-8(6-10)9-3;1-6(2)7-3-4-8(10)9-5-7;1-7(2)9-5-4-8(3)6-9;1-6(2)8-4-7(3)5-9-8;1-6(2)9-3-7(4-10)8-5-9;1-6(2)9-4-7(5-10)3-8-9;1-6(2)7-4-8-9(3)5-7;1-6(2)9-4-7(3)8-5-9;2*1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;;;;;;;;/h4-8H,1-3H3;3-6H,1-2H3;4-6H,1-3H3;5-7H,1-4H3;4-7H,1-3H3;3*4-7H,1-3H3;4-7H,1-2H3;3-6H,1-2H3,(H,9,10);4-7H,1-3H3;4-6H,1-3H3;3,5-6,10H,4H2,1-2H3;3-4,6,10H,5H2,1-2H3;2*4-6H,1-3H3;3,5-6H,4H2,1-2H3;2*3-6H,1-2H3;8*1H4.

What are the key properties of N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2-fluoro-3-methyl-5-propan-2-ylpyridine;3-isocyano-1-propan-2-ylpyrrole;methane;4-methyl-1-propan-2-ylimidazole;2-methyl-5-(3-propan-2-ylphenyl)-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;3-methyl-1-propan-2-ylpyrrole;4-methyl-2-propan-2-ylthiophene;3-methylsulfonyl-5-propan-2-ylpyridine;(1-propan-2-ylimidazol-4-yl)methanol;(1-propan-2-ylpyrazol-4-yl)methanol;5-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;3-propan-2-yl-2-(trifluoromethyl)pyridine?

N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2-fluoro-3-methyl-5-propan-2-ylpyridine;3-isocyano-1-propan-2-ylpyrrole;methane;4-methyl-1-propan-2-ylimidazole;2-methyl-5-(3-propan-2-ylphenyl)-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;3-methyl-1-propan-2-ylpyrrole;4-methyl-2-propan-2-ylthiophene;3-methylsulfonyl-5-propan-2-ylpyridine;(1-propan-2-ylimidazol-4-yl)methanol;(1-propan-2-ylpyrazol-4-yl)methanol;5-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;3-propan-2-yl-2-(trifluoromethyl)pyridine has a molecular weight of 2868.31 g/mol, XLogP of 47.25, 24 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2-fluoro-3-methyl-5-propan-2-ylpyridine;3-isocyano-1-propan-2-ylpyrrole;methane;4-methyl-1-propan-2-ylimidazole;2-methyl-5-(3-propan-2-ylphenyl)-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;3-methyl-1-propan-2-ylpyrrole;4-methyl-2-propan-2-ylthiophene;3-methylsulfonyl-5-propan-2-ylpyridine;(1-propan-2-ylimidazol-4-yl)methanol;(1-propan-2-ylpyrazol-4-yl)methanol;5-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;3-propan-2-yl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 159583503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).