2,4-dimethoxy-5-propan-2-ylpyrimidine;N,N-dimethyl-3-propan-2-ylaniline;1-ethyl-3-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene;octakis(1-methyl-3-propan-2-ylbenzene);1-methyl-3-propan-2-ylcyclohexane;bis(3-methyl-1-(3-propan-2-ylphenyl)pyrrolidine);3-methyl-1-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;tris(3-methyl-5-propan-2-ylpyridine);(2S)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2R)-1-(3-propan-2-ylphenoxy)butan-2-ol;1-(3-propan-2-ylphenyl)pyrrolidine

C258H396N12O6 — CID 157162191

About 2,4-dimethoxy-5-propan-2-ylpyrimidine;N,N-dimethyl-3-propan-2-ylaniline;1-ethyl-3-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene;octakis(1-methyl-3-propan-2-ylbenzene);1-methyl-3-propan-2-ylcyclohexane;bis(3-methyl-1-(3-propan-2-ylphenyl)pyrrolidine);3-methyl-1-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;tris(3-methyl-5-propan-2-ylpyridine);(2S)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2R)-1-(3-propan-2-ylphenoxy)butan-2-ol;1-(3-propan-2-ylphenyl)pyrrolidine

2,4-dimethoxy-5-propan-2-ylpyrimidine;N,N-dimethyl-3-propan-2-ylaniline;1-ethyl-3-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene;octakis(1-methyl-3-propan-2-ylbenzene);1-methyl-3-propan-2-ylcyclohexane;bis(3-methyl-1-(3-propan-2-ylphenyl)pyrrolidine);3-methyl-1-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;tris(3-methyl-5-propan-2-ylpyridine);(2S)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2R)-1-(3-propan-2-ylphenoxy)butan-2-ol;1-(3-propan-2-ylphenyl)pyrrolidine (PubChem CID 157162191) has the molecular formula C258H396N12O6 and a molecular weight of 3762.08 g/mol. Its IUPAC name is 2,4-dimethoxy-5-propan-2-ylpyrimidine;N,N-dimethyl-3-propan-2-ylaniline;1-ethyl-3-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene;octakis(1-methyl-3-propan-2-ylbenzene);1-methyl-3-propan-2-ylcyclohexane;bis(3-methyl-1-(3-propan-2-ylphenyl)pyrrolidine);3-methyl-1-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;tris(3-methyl-5-propan-2-ylpyridine);(2S)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2R)-1-(3-propan-2-ylphenoxy)butan-2-ol;1-(3-propan-2-ylphenyl)pyrrolidine.

Molecular Properties

• Compound Name: 2,4-dimethoxy-5-propan-2-ylpyrimidine;N,N-dimethyl-3-propan-2-ylaniline;1-ethyl-3-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene;octakis(1-methyl-3-propan-2-ylbenzene);1-methyl-3-propan-2-ylcyclohexane;bis(3-methyl-1-(3-propan-2-ylphenyl)pyrrolidine);3-methyl-1-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;tris(3-methyl-5-propan-2-ylpyridine);(2S)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2R)-1-(3-propan-2-ylphenoxy)butan-2-ol;1-(3-propan-2-ylphenyl)pyrrolidine
• PubChem CID: 157162191
• Molecular Formula: C258H396N12O6
• Molecular Weight: 3762.08 g/mol
• Exact Mass: 3759.11
• IUPAC Name: 2,4-dimethoxy-5-propan-2-ylpyrimidine;N,N-dimethyl-3-propan-2-ylaniline;1-ethyl-3-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene;octakis(1-methyl-3-propan-2-ylbenzene);1-methyl-3-propan-2-ylcyclohexane;bis(3-methyl-1-(3-propan-2-ylphenyl)pyrrolidine);3-methyl-1-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;tris(3-methyl-5-propan-2-ylpyridine);(2S)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2R)-1-(3-propan-2-ylphenoxy)butan-2-ol;1-(3-propan-2-ylphenyl)pyrrolidine
• SMILES: C.C.C.C.C.CC(C)c1cccc(N(C)C)c1.CC(C)c1cccc(N2CCCC2)c1.CC1CCCC(C(C)C)C1.CC1CCCN(C(C)C)C1.CC1CCN(c2cccc(C(C)C)c2)C1.CC1CCN(c2cccc(C(C)C)c2)C1.CC[C@@H](O)COc1cccc(C(C)C)c1.CC[C@H](O)COc1cccc(C(C)C)c1.CCc1cccc(C(C)C)c1.COc1ncc(C(C)C)c(OC)n1.Cc1ccc(C(C)C)cn1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C.Cc1cncc(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1cncc(C(C)C)c1.[C-]#[N+]c1ccccc1C(C)C
• InChI: InChI=1S/2C14H21N.C13H19N.2C13H20O2.C11H17N.C11H16.C10H11N.C10H20.9C10H14.C9H14N2O2.4C9H13N.C9H19N.5CH4/c2*1-11(2)13-5-4-6-14(9-13)15-8-7-12(3)10-15;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-14;2*1-4-12(14)9-15-13-7-5-6-11(8-13)10(2)3;1-9(2)10-6-5-7-11(8-10)12(3)4;1-4-10-6-5-7-11(8-10)9(2)3;1-8(2)9-6-4-5-7-10(9)11-3;9*1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;1-6(2)7-5-10-9(13-4)11-8(7)12-3;3*1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-5-4-8(3)10-6-9;1-8(2)10-6-4-5-9(3)7-10;;;;;/h2*4-6,9,11-12H,7-8,10H2,1-3H3;5-7,10-11H,3-4,8-9H2,1-2H3;2*5-8,10,12,14H,4,9H2,1-3H3;5-9H,1-4H3;5-9H,4H2,1-3H3;4-8H,1-2H3;8-10H,4-7H2,1-3H3;9*4-8H,1-3H3;5-6H,1-4H3;4*4-7H,1-3H3;8-9H,4-7H2,1-3H3;5*1H4/t;;;2*12-;;;;;;;;;;;;;;;;;;;;;;;;/m...10......................../s1
• InChIKey: AMMUSEYCIHJRCY-LHFWLIEFSA-N
• XLogP: 74.76
• TPSA: 175.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 39
• Heavy Atoms: 276
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3762.08
LogP ≤ 5	74.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-5-propan-2-ylpyrimidine;N,N-dimethyl-3-propan-2-ylaniline;1-ethyl-3-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene;octakis(1-methyl-3-propan-2-ylbenzene);1-methyl-3-propan-2-ylcyclohexane;bis(3-methyl-1-(3-propan-2-ylphenyl)pyrrolidine);3-methyl-1-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;tris(3-methyl-5-propan-2-ylpyridine);(2S)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2R)-1-(3-propan-2-ylphenoxy)butan-2-ol;1-(3-propan-2-ylphenyl)pyrrolidine?

The IUPAC name of 2,4-dimethoxy-5-propan-2-ylpyrimidine;N,N-dimethyl-3-propan-2-ylaniline;1-ethyl-3-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene;octakis(1-methyl-3-propan-2-ylbenzene);1-methyl-3-propan-2-ylcyclohexane;bis(3-methyl-1-(3-propan-2-ylphenyl)pyrrolidine);3-methyl-1-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;tris(3-methyl-5-propan-2-ylpyridine);(2S)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2R)-1-(3-propan-2-ylphenoxy)butan-2-ol;1-(3-propan-2-ylphenyl)pyrrolidine (CID 157162191) is 2,4-dimethoxy-5-propan-2-ylpyrimidine;N,N-dimethyl-3-propan-2-ylaniline;1-ethyl-3-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene;octakis(1-methyl-3-propan-2-ylbenzene);1-methyl-3-propan-2-ylcyclohexane;bis(3-methyl-1-(3-propan-2-ylphenyl)pyrrolidine);3-methyl-1-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;tris(3-methyl-5-propan-2-ylpyridine);(2S)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2R)-1-(3-propan-2-ylphenoxy)butan-2-ol;1-(3-propan-2-ylphenyl)pyrrolidine.

What is the SMILES notation for 2,4-dimethoxy-5-propan-2-ylpyrimidine;N,N-dimethyl-3-propan-2-ylaniline;1-ethyl-3-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene;octakis(1-methyl-3-propan-2-ylbenzene);1-methyl-3-propan-2-ylcyclohexane;bis(3-methyl-1-(3-propan-2-ylphenyl)pyrrolidine);3-methyl-1-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;tris(3-methyl-5-propan-2-ylpyridine);(2S)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2R)-1-(3-propan-2-ylphenoxy)butan-2-ol;1-(3-propan-2-ylphenyl)pyrrolidine?

The canonical SMILES for 2,4-dimethoxy-5-propan-2-ylpyrimidine;N,N-dimethyl-3-propan-2-ylaniline;1-ethyl-3-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene;octakis(1-methyl-3-propan-2-ylbenzene);1-methyl-3-propan-2-ylcyclohexane;bis(3-methyl-1-(3-propan-2-ylphenyl)pyrrolidine);3-methyl-1-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;tris(3-methyl-5-propan-2-ylpyridine);(2S)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2R)-1-(3-propan-2-ylphenoxy)butan-2-ol;1-(3-propan-2-ylphenyl)pyrrolidine is C.C.C.C.C.CC(C)c1cccc(N(C)C)c1.CC(C)c1cccc(N2CCCC2)c1.CC1CCCC(C(C)C)C1.CC1CCCN(C(C)C)C1.CC1CCN(c2cccc(C(C)C)c2)C1.CC1CCN(c2cccc(C(C)C)c2)C1.CC[C@@H](O)COc1cccc(C(C)C)c1.CC[C@H](O)COc1cccc(C(C)C)c1.CCc1cccc(C(C)C)c1.COc1ncc(C(C)C)c(OC)n1.Cc1ccc(C(C)C)cn1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C.Cc1cncc(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1cncc(C(C)C)c1.[C-]#[N+]c1ccccc1C(C)C.

What is the InChIKey of 2,4-dimethoxy-5-propan-2-ylpyrimidine;N,N-dimethyl-3-propan-2-ylaniline;1-ethyl-3-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene;octakis(1-methyl-3-propan-2-ylbenzene);1-methyl-3-propan-2-ylcyclohexane;bis(3-methyl-1-(3-propan-2-ylphenyl)pyrrolidine);3-methyl-1-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;tris(3-methyl-5-propan-2-ylpyridine);(2S)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2R)-1-(3-propan-2-ylphenoxy)butan-2-ol;1-(3-propan-2-ylphenyl)pyrrolidine?

The InChIKey is AMMUSEYCIHJRCY-LHFWLIEFSA-N. The full InChI is InChI=1S/2C14H21N.C13H19N.2C13H20O2.C11H17N.C11H16.C10H11N.C10H20.9C10H14.C9H14N2O2.4C9H13N.C9H19N.5CH4/c2*1-11(2)13-5-4-6-14(9-13)15-8-7-12(3)10-15;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-14;2*1-4-12(14)9-15-13-7-5-6-11(8-13)10(2)3;1-9(2)10-6-5-7-11(8-10)12(3)4;1-4-10-6-5-7-11(8-10)9(2)3;1-8(2)9-6-4-5-7-10(9)11-3;9*1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;1-6(2)7-5-10-9(13-4)11-8(7)12-3;3*1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-5-4-8(3)10-6-9;1-8(2)10-6-4-5-9(3)7-10;;;;;/h2*4-6,9,11-12H,7-8,10H2,1-3H3;5-7,10-11H,3-4,8-9H2,1-2H3;2*5-8,10,12,14H,4,9H2,1-3H3;5-9H,1-4H3;5-9H,4H2,1-3H3;4-8H,1-2H3;8-10H,4-7H2,1-3H3;9*4-8H,1-3H3;5-6H,1-4H3;4*4-7H,1-3H3;8-9H,4-7H2,1-3H3;5*1H4/t;;;2*12-;;;;;;;;;;;;;;;;;;;;;;;;/m...10......................../s1.

What are the key properties of 2,4-dimethoxy-5-propan-2-ylpyrimidine;N,N-dimethyl-3-propan-2-ylaniline;1-ethyl-3-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene;octakis(1-methyl-3-propan-2-ylbenzene);1-methyl-3-propan-2-ylcyclohexane;bis(3-methyl-1-(3-propan-2-ylphenyl)pyrrolidine);3-methyl-1-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;tris(3-methyl-5-propan-2-ylpyridine);(2S)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2R)-1-(3-propan-2-ylphenoxy)butan-2-ol;1-(3-propan-2-ylphenyl)pyrrolidine?

2,4-dimethoxy-5-propan-2-ylpyrimidine;N,N-dimethyl-3-propan-2-ylaniline;1-ethyl-3-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene;octakis(1-methyl-3-propan-2-ylbenzene);1-methyl-3-propan-2-ylcyclohexane;bis(3-methyl-1-(3-propan-2-ylphenyl)pyrrolidine);3-methyl-1-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;tris(3-methyl-5-propan-2-ylpyridine);(2S)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2R)-1-(3-propan-2-ylphenoxy)butan-2-ol;1-(3-propan-2-ylphenyl)pyrrolidine has a molecular weight of 3762.08 g/mol, XLogP of 74.76, 39 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dimethoxy-5-propan-2-ylpyrimidine;N,N-dimethyl-3-propan-2-ylaniline;1-ethyl-3-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene;octakis(1-methyl-3-propan-2-ylbenzene);1-methyl-3-propan-2-ylcyclohexane;bis(3-methyl-1-(3-propan-2-ylphenyl)pyrrolidine);3-methyl-1-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;tris(3-methyl-5-propan-2-ylpyridine);(2S)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2R)-1-(3-propan-2-ylphenoxy)butan-2-ol;1-(3-propan-2-ylphenyl)pyrrolidine is sourced from PubChem (CID 157162191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).