cumene;bis(1-fluoro-2-propan-2-ylbenzene);2-fluoro-4-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;3-isocyano-2-propan-2-ylpyridine;tris(1-methyl-2-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);tetrakis(2-methyl-5-propan-2-ylpyrimidine);2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine

C189H261F4N23 — CID 157248610

IUPACcumene;bis(1-fluoro-2-propan-2-ylbenzene);2-fluoro-4-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;3-isocyano-2-propan-2-ylpyridine;tris(1-methyl-2-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);tetrakis(2-methyl-5-propan-2-ylpyrimidine);2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
SMILESCC(C)c1ccc(F)nc1.CC(C)c1ccccc1.CC(C)c1ccccc1F.CC(C)c1ccccc1F.CC(C)c1ccccn1.CC(C)c1ccnc(F)c1.CC(C)c1ccncc1.CC(C)c1cncnc1.CC(C)c1ncccn1.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1.Cc1cccc(C(C)C)n1.Cc1ccccc1C(C)C.Cc1ccccc1C(C)C.Cc1ccccc1C(C)C.Cc1ccnc(C(C)C)c1.Cc1ncc(C(C)C)cn1.Cc1ncc(C(C)C)cn1.Cc1ncc(C(C)C)cn1.Cc1ncc(C(C)C)cn1.[C-]#[N+]c1cccnc1C(C)C
InChIInChI=1S/3C10H14.2C9H11F.C9H10N2.5C9H13N.C9H12.2C8H10FN.4C8H12N2.2C8H11N.2C7H10N2/c3*1-8(2)10-7-5-4-6-9(10)3;2*1-7(2)8-5-3-4-6-9(8)10;1-7(2)9-8(10-3)5-4-6-11-9;1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-6-8(3)4-5-10-9;2*1-7(2)9-5-4-8(3)6-10-9;1-7(2)9-6-4-5-8(3)10-9;1-8(2)9-6-4-3-5-7-9;1-6(2)7-3-4-10-8(9)5-7;1-6(2)7-3-4-8(9)10-5-7;4*1-6(2)8-4-9-7(3)10-5-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-8-4-3-5-9-7/h3*4-8H,1-3H3;2*3-7H,1-2H3;4-7H,1-2H3;5*4-7H,1-3H3;3-8H,1-2H3;2*3-6H,1-2H3;4*4-6H,1-3H3;2*3-7H,1-2H3;2*3-6H,1-2H3
InChIKeyAWBPUUDZQCVLKT-UHFFFAOYSA-N
MW2931.32 g/mol
LogP53.32
Rot. Bonds22

About cumene;bis(1-fluoro-2-propan-2-ylbenzene);2-fluoro-4-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;3-isocyano-2-propan-2-ylpyridine;tris(1-methyl-2-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);tetrakis(2-methyl-5-propan-2-ylpyrimidine);2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine

cumene;bis(1-fluoro-2-propan-2-ylbenzene);2-fluoro-4-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;3-isocyano-2-propan-2-ylpyridine;tris(1-methyl-2-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);tetrakis(2-methyl-5-propan-2-ylpyrimidine);2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine (PubChem CID 157248610) has the molecular formula C189H261F4N23 and a molecular weight of 2931.32 g/mol. Its IUPAC name is cumene;bis(1-fluoro-2-propan-2-ylbenzene);2-fluoro-4-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;3-isocyano-2-propan-2-ylpyridine;tris(1-methyl-2-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);tetrakis(2-methyl-5-propan-2-ylpyrimidine);2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine.

Molecular Properties

Compound Namecumene;bis(1-fluoro-2-propan-2-ylbenzene);2-fluoro-4-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;3-isocyano-2-propan-2-ylpyridine;tris(1-methyl-2-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);tetrakis(2-methyl-5-propan-2-ylpyrimidine);2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
PubChem CID157248610
Molecular FormulaC189H261F4N23
Molecular Weight2931.32 g/mol
Exact Mass2929.11
IUPAC Namecumene;bis(1-fluoro-2-propan-2-ylbenzene);2-fluoro-4-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;3-isocyano-2-propan-2-ylpyridine;tris(1-methyl-2-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);tetrakis(2-methyl-5-propan-2-ylpyrimidine);2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
SMILESCC(C)c1ccc(F)nc1.CC(C)c1ccccc1.CC(C)c1ccccc1F.CC(C)c1ccccc1F.CC(C)c1ccccn1.CC(C)c1ccnc(F)c1.CC(C)c1ccncc1.CC(C)c1cncnc1.CC(C)c1ncccn1.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1.Cc1cccc(C(C)C)n1.Cc1ccccc1C(C)C.Cc1ccccc1C(C)C.Cc1ccccc1C(C)C.Cc1ccnc(C(C)C)c1.Cc1ncc(C(C)C)cn1.Cc1ncc(C(C)C)cn1.Cc1ncc(C(C)C)cn1.Cc1ncc(C(C)C)cn1.[C-]#[N+]c1cccnc1C(C)C
InChIInChI=1S/3C10H14.2C9H11F.C9H10N2.5C9H13N.C9H12.2C8H10FN.4C8H12N2.2C8H11N.2C7H10N2/c3*1-8(2)10-7-5-4-6-9(10)3;2*1-7(2)8-5-3-4-6-9(8)10;1-7(2)9-8(10-3)5-4-6-11-9;1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-6-8(3)4-5-10-9;2*1-7(2)9-5-4-8(3)6-10-9;1-7(2)9-6-4-5-8(3)10-9;1-8(2)9-6-4-3-5-7-9;1-6(2)7-3-4-10-8(9)5-7;1-6(2)7-3-4-8(9)10-5-7;4*1-6(2)8-4-9-7(3)10-5-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-8-4-3-5-9-7/h3*4-8H,1-3H3;2*3-7H,1-2H3;4-7H,1-2H3;5*4-7H,1-3H3;3-8H,1-2H3;2*3-6H,1-2H3;4*4-6H,1-3H3;2*3-7H,1-2H3;2*3-6H,1-2H3
InChIKeyAWBPUUDZQCVLKT-UHFFFAOYSA-N
XLogP53.32
TPSA287.94 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds22
Heavy Atoms216
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002931.32
LogP ≤ 553.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze cumene;bis(1-fluoro-2-propan-2-ylbenzene);2-fluoro-4-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;3-isocyano-2-propan-2-ylpyridine;tris(1-methyl-2-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);tetrakis(2-methyl-5-propan-2-ylpyrimidine);2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-N-[[1-(6-methyl-3-pyridinyl)piperidin-4-yl]methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine
CID 60167872
4-Pyridin-3-yl-2-pyridin-4-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 3431450
2-(2,6-dipyridin-2-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 4174337
5-fluoro-2-(2-propan-2-ylphenyl)-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 60167813
5-fluoro-N-[[1-(6-methyl-3-pyridinyl)piperidin-4-yl]methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine
CID 60167843
6-{4-[1-(2-Dimethylamino-ethyl)-4-(4-fluoro-3-trifluoromethyl-phenyl)-1H-imidazol-2-yl]-piperidin-1-yl}-5-pyridin-4-yl-pyrimidin-4-ylamine
CID 89442705
6-{4-[4-(4-Fluoro-3-trifluoromethyl-phenyl)-1-methyl-1H-imidazol-2-yl]-piperidin-1-yl}-5-(6-piperazin-1-yl-pyridin-3-yl)-pyrimidin-4-ylamine
CID 89442794
2-N-(4,4-difluorocyclohexyl)-4-N-(2-phenylpyridin-4-yl)-6-[6-(trifluoromethyl)pyridin-2-yl]-1,3,5-triazine-2,4-diamine
CID 117798796
4-N-[2-(4-fluorophenyl)pyridin-4-yl]-6-[6-(trifluoromethyl)pyridin-2-yl]-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
CID 117799215
US11420970, Example 65
CID 156073234
5-Pyrazin-2-yl-2,4-dipyridin-3-ylpyrimidine
CID 4067788
4-(4-Benzylpiperazin-1-yl)-2-phenyl-6-(5-phenylpyridin-3-yl)pyrimidine
CID 4069661

Frequently Asked Questions

What is the IUPAC name of cumene;bis(1-fluoro-2-propan-2-ylbenzene);2-fluoro-4-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;3-isocyano-2-propan-2-ylpyridine;tris(1-methyl-2-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);tetrakis(2-methyl-5-propan-2-ylpyrimidine);2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine?
The IUPAC name of cumene;bis(1-fluoro-2-propan-2-ylbenzene);2-fluoro-4-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;3-isocyano-2-propan-2-ylpyridine;tris(1-methyl-2-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);tetrakis(2-methyl-5-propan-2-ylpyrimidine);2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine (CID 157248610) is cumene;bis(1-fluoro-2-propan-2-ylbenzene);2-fluoro-4-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;3-isocyano-2-propan-2-ylpyridine;tris(1-methyl-2-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);tetrakis(2-methyl-5-propan-2-ylpyrimidine);2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine.
What is the SMILES notation for cumene;bis(1-fluoro-2-propan-2-ylbenzene);2-fluoro-4-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;3-isocyano-2-propan-2-ylpyridine;tris(1-methyl-2-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);tetrakis(2-methyl-5-propan-2-ylpyrimidine);2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine?
The canonical SMILES for cumene;bis(1-fluoro-2-propan-2-ylbenzene);2-fluoro-4-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;3-isocyano-2-propan-2-ylpyridine;tris(1-methyl-2-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);tetrakis(2-methyl-5-propan-2-ylpyrimidine);2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine is CC(C)c1ccc(F)nc1.CC(C)c1ccccc1.CC(C)c1ccccc1F.CC(C)c1ccccc1F.CC(C)c1ccccn1.CC(C)c1ccnc(F)c1.CC(C)c1ccncc1.CC(C)c1cncnc1.CC(C)c1ncccn1.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1.Cc1cccc(C(C)C)n1.Cc1ccccc1C(C)C.Cc1ccccc1C(C)C.Cc1ccccc1C(C)C.Cc1ccnc(C(C)C)c1.Cc1ncc(C(C)C)cn1.Cc1ncc(C(C)C)cn1.Cc1ncc(C(C)C)cn1.Cc1ncc(C(C)C)cn1.[C-]#[N+]c1cccnc1C(C)C.
What is the InChIKey of cumene;bis(1-fluoro-2-propan-2-ylbenzene);2-fluoro-4-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;3-isocyano-2-propan-2-ylpyridine;tris(1-methyl-2-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);tetrakis(2-methyl-5-propan-2-ylpyrimidine);2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine?
The InChIKey is AWBPUUDZQCVLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H14.2C9H11F.C9H10N2.5C9H13N.C9H12.2C8H10FN.4C8H12N2.2C8H11N.2C7H10N2/c3*1-8(2)10-7-5-4-6-9(10)3;2*1-7(2)8-5-3-4-6-9(8)10;1-7(2)9-8(10-3)5-4-6-11-9;1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-6-8(3)4-5-10-9;2*1-7(2)9-5-4-8(3)6-10-9;1-7(2)9-6-4-5-8(3)10-9;1-8(2)9-6-4-3-5-7-9;1-6(2)7-3-4-10-8(9)5-7;1-6(2)7-3-4-8(9)10-5-7;4*1-6(2)8-4-9-7(3)10-5-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-8-4-3-5-9-7/h3*4-8H,1-3H3;2*3-7H,1-2H3;4-7H,1-2H3;5*4-7H,1-3H3;3-8H,1-2H3;2*3-6H,1-2H3;4*4-6H,1-3H3;2*3-7H,1-2H3;2*3-6H,1-2H3.
What are the key properties of cumene;bis(1-fluoro-2-propan-2-ylbenzene);2-fluoro-4-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;3-isocyano-2-propan-2-ylpyridine;tris(1-methyl-2-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);tetrakis(2-methyl-5-propan-2-ylpyrimidine);2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine?
cumene;bis(1-fluoro-2-propan-2-ylbenzene);2-fluoro-4-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;3-isocyano-2-propan-2-ylpyridine;tris(1-methyl-2-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);tetrakis(2-methyl-5-propan-2-ylpyrimidine);2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine has a molecular weight of 2931.32 g/mol, XLogP of 53.32, 22 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;bis(1-fluoro-2-propan-2-ylbenzene);2-fluoro-4-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;3-isocyano-2-propan-2-ylpyridine;tris(1-methyl-2-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);tetrakis(2-methyl-5-propan-2-ylpyrimidine);2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine is sourced from PubChem (CID 157248610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).