N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2-fluoro-3-methyl-5-propan-2-ylpyridine;4-isocyano-1-propan-2-ylpyrazole;2-methyl-5-(3-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(2-methyl-3-propan-2-ylpyridine);2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;tris(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrrole;4-propan-2-ylcyclohexa-2,4-dien-1-one;2-propan-2-ylpyridine;(3-propan-2-yl-2-pyridinyl)methanol;(1-propan-2-ylpyrrol-3-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene

C165H236FN21O4S2 — CID 160749111

About N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2-fluoro-3-methyl-5-propan-2-ylpyridine;4-isocyano-1-propan-2-ylpyrazole;2-methyl-5-(3-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(2-methyl-3-propan-2-ylpyridine);2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;tris(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrrole;4-propan-2-ylcyclohexa-2,4-dien-1-one;2-propan-2-ylpyridine;(3-propan-2-yl-2-pyridinyl)methanol;(1-propan-2-ylpyrrol-3-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene

N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2-fluoro-3-methyl-5-propan-2-ylpyridine;4-isocyano-1-propan-2-ylpyrazole;2-methyl-5-(3-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(2-methyl-3-propan-2-ylpyridine);2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;tris(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrrole;4-propan-2-ylcyclohexa-2,4-dien-1-one;2-propan-2-ylpyridine;(3-propan-2-yl-2-pyridinyl)methanol;(1-propan-2-ylpyrrol-3-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene (PubChem CID 160749111) has the molecular formula C165H236FN21O4S2 and a molecular weight of 2660.98 g/mol. Its IUPAC name is N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2-fluoro-3-methyl-5-propan-2-ylpyridine;4-isocyano-1-propan-2-ylpyrazole;2-methyl-5-(3-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(2-methyl-3-propan-2-ylpyridine);2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;tris(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrrole;4-propan-2-ylcyclohexa-2,4-dien-1-one;2-propan-2-ylpyridine;(3-propan-2-yl-2-pyridinyl)methanol;(1-propan-2-ylpyrrol-3-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene.

Molecular Properties

• Compound Name: N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2-fluoro-3-methyl-5-propan-2-ylpyridine;4-isocyano-1-propan-2-ylpyrazole;2-methyl-5-(3-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(2-methyl-3-propan-2-ylpyridine);2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;tris(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrrole;4-propan-2-ylcyclohexa-2,4-dien-1-one;2-propan-2-ylpyridine;(3-propan-2-yl-2-pyridinyl)methanol;(1-propan-2-ylpyrrol-3-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene
• PubChem CID: 160749111
• Molecular Formula: C165H236FN21O4S2
• Molecular Weight: 2660.98 g/mol
• Exact Mass: 2658.83
• IUPAC Name: N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2-fluoro-3-methyl-5-propan-2-ylpyridine;4-isocyano-1-propan-2-ylpyrazole;2-methyl-5-(3-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(2-methyl-3-propan-2-ylpyridine);2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;tris(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrrole;4-propan-2-ylcyclohexa-2,4-dien-1-one;2-propan-2-ylpyridine;(3-propan-2-yl-2-pyridinyl)methanol;(1-propan-2-ylpyrrol-3-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene
• SMILES: CC(C)C1=CCC(=O)C=C1.CC(C)c1ccccn1.CC(C)c1cccnc1CO.CC(C)c1cccs1.CC(C)c1ccn(C)c1.CC(C)c1ccsc1.CC(C)c1cnc(N(C)C)nc1.CC(C)n1ccc(CO)c1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)cnc1F.Cc1ccc(C(C)C)cn1.Cc1ccncc1C(C)C.Cc1cncc(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1ncccc1C(C)C.Cc1ncccc1C(C)C.Cc1nnc(-c2cccc(C(C)C)c2)o1.[C-]#[N+]c1cnn(C(C)C)c1
• InChI: InChI=1S/C12H14N2O.C9H12FN.C9H15N3.C9H13NO.8C9H13N.C9H12O.C8H13NO.C8H13N.C8H11N.C7H9N3.2C7H10S/c1-8(2)10-5-4-6-11(7-10)12-14-13-9(3)15-12;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)8-4-3-5-10-9(8)6-11;3*1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-6-10-5-4-8(9)3;1-7(2)9-5-4-8(3)10-6-9;2*1-7(2)9-5-4-6-10-8(9)3;1-7(2)8-3-5-9(10)6-4-8;1-7(2)9-4-3-8(5-9)6-10;1-7(2)8-4-5-9(3)6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)10-5-7(8-3)4-9-10;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7/h4-8H,1-3H3;4-6H,1-3H3;5-7H,1-4H3;3-5,7,11H,6H2,1-2H3;8*4-7H,1-3H3;3-5,7H,6H2,1-2H3;3-5,7,10H,6H2,1-2H3;4-7H,1-3H3;3-7H,1-2H3;4-6H,1-2H3;2*3-6H,1-2H3
• InChIKey: RWORWDVQDPCBHH-UHFFFAOYSA-N
• XLogP: 45.06
• TPSA: 299.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 23
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2660.98
LogP ≤ 5	45.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

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;4-isocyano-1-propan-2-ylpyrazole;2-methyl-5-(3-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(2-methyl-3-propan-2-ylpyridine);2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;tris(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrrole;4-propan-2-ylcyclohexa-2,4-dien-1-one;2-propan-2-ylpyridine;(3-propan-2-yl-2-pyridinyl)methanol;(1-propan-2-ylpyrrol-3-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene?

The IUPAC name of N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2-fluoro-3-methyl-5-propan-2-ylpyridine;4-isocyano-1-propan-2-ylpyrazole;2-methyl-5-(3-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(2-methyl-3-propan-2-ylpyridine);2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;tris(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrrole;4-propan-2-ylcyclohexa-2,4-dien-1-one;2-propan-2-ylpyridine;(3-propan-2-yl-2-pyridinyl)methanol;(1-propan-2-ylpyrrol-3-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene (CID 160749111) is N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2-fluoro-3-methyl-5-propan-2-ylpyridine;4-isocyano-1-propan-2-ylpyrazole;2-methyl-5-(3-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(2-methyl-3-propan-2-ylpyridine);2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;tris(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrrole;4-propan-2-ylcyclohexa-2,4-dien-1-one;2-propan-2-ylpyridine;(3-propan-2-yl-2-pyridinyl)methanol;(1-propan-2-ylpyrrol-3-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene.

What is the SMILES notation for N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2-fluoro-3-methyl-5-propan-2-ylpyridine;4-isocyano-1-propan-2-ylpyrazole;2-methyl-5-(3-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(2-methyl-3-propan-2-ylpyridine);2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;tris(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrrole;4-propan-2-ylcyclohexa-2,4-dien-1-one;2-propan-2-ylpyridine;(3-propan-2-yl-2-pyridinyl)methanol;(1-propan-2-ylpyrrol-3-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene?

The canonical SMILES for N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2-fluoro-3-methyl-5-propan-2-ylpyridine;4-isocyano-1-propan-2-ylpyrazole;2-methyl-5-(3-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(2-methyl-3-propan-2-ylpyridine);2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;tris(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrrole;4-propan-2-ylcyclohexa-2,4-dien-1-one;2-propan-2-ylpyridine;(3-propan-2-yl-2-pyridinyl)methanol;(1-propan-2-ylpyrrol-3-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene is CC(C)C1=CCC(=O)C=C1.CC(C)c1ccccn1.CC(C)c1cccnc1CO.CC(C)c1cccs1.CC(C)c1ccn(C)c1.CC(C)c1ccsc1.CC(C)c1cnc(N(C)C)nc1.CC(C)n1ccc(CO)c1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)cnc1F.Cc1ccc(C(C)C)cn1.Cc1ccncc1C(C)C.Cc1cncc(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1ncccc1C(C)C.Cc1ncccc1C(C)C.Cc1nnc(-c2cccc(C(C)C)c2)o1.[C-]#[N+]c1cnn(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;4-isocyano-1-propan-2-ylpyrazole;2-methyl-5-(3-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(2-methyl-3-propan-2-ylpyridine);2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;tris(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrrole;4-propan-2-ylcyclohexa-2,4-dien-1-one;2-propan-2-ylpyridine;(3-propan-2-yl-2-pyridinyl)methanol;(1-propan-2-ylpyrrol-3-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene?

The InChIKey is RWORWDVQDPCBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O.C9H12FN.C9H15N3.C9H13NO.8C9H13N.C9H12O.C8H13NO.C8H13N.C8H11N.C7H9N3.2C7H10S/c1-8(2)10-5-4-6-11(7-10)12-14-13-9(3)15-12;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)8-4-3-5-10-9(8)6-11;3*1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-6-10-5-4-8(9)3;1-7(2)9-5-4-8(3)10-6-9;2*1-7(2)9-5-4-6-10-8(9)3;1-7(2)8-3-5-9(10)6-4-8;1-7(2)9-4-3-8(5-9)6-10;1-7(2)8-4-5-9(3)6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)10-5-7(8-3)4-9-10;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7/h4-8H,1-3H3;4-6H,1-3H3;5-7H,1-4H3;3-5,7,11H,6H2,1-2H3;8*4-7H,1-3H3;3-5,7H,6H2,1-2H3;3-5,7,10H,6H2,1-2H3;4-7H,1-3H3;3-7H,1-2H3;4-6H,1-2H3;2*3-6H,1-2H3.

What are the key properties of N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2-fluoro-3-methyl-5-propan-2-ylpyridine;4-isocyano-1-propan-2-ylpyrazole;2-methyl-5-(3-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(2-methyl-3-propan-2-ylpyridine);2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;tris(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrrole;4-propan-2-ylcyclohexa-2,4-dien-1-one;2-propan-2-ylpyridine;(3-propan-2-yl-2-pyridinyl)methanol;(1-propan-2-ylpyrrol-3-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene?

N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2-fluoro-3-methyl-5-propan-2-ylpyridine;4-isocyano-1-propan-2-ylpyrazole;2-methyl-5-(3-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(2-methyl-3-propan-2-ylpyridine);2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;tris(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrrole;4-propan-2-ylcyclohexa-2,4-dien-1-one;2-propan-2-ylpyridine;(3-propan-2-yl-2-pyridinyl)methanol;(1-propan-2-ylpyrrol-3-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene has a molecular weight of 2660.98 g/mol, XLogP of 45.06, 23 rotatable bonds, 2 hydrogen bond donors, and 26 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;4-isocyano-1-propan-2-ylpyrazole;2-methyl-5-(3-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(2-methyl-3-propan-2-ylpyridine);2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;tris(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrrole;4-propan-2-ylcyclohexa-2,4-dien-1-one;2-propan-2-ylpyridine;(3-propan-2-yl-2-pyridinyl)methanol;(1-propan-2-ylpyrrol-3-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene is sourced from PubChem (CID 160749111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).