2,5-bis(2,2-dimethylpropyl)-1-methylpyrrole;2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole;2,5-bis(2,2-dimethylpropyl)pyrazine;3,6-bis(2,2-dimethylpropyl)pyridazine;2,5-bis(2,2-dimethylpropyl)pyrimidine;bis(2,4-bis(2,2-dimethylpropyl)-1H-pyrrole);bis(2,4-bis(2,2-dimethylpropyl)-1,3-thiazole);3-(2,2-dimethylpropyl)-6-(2,3,3-trimethylbutan-2-yl)pyridazine;5-(2,2-dimethylpropyl)-2-(2,3,3-trimethylbutan-2-yl)pyridine;2-(2,2-dimethylpropyl)-5-(2,3,3-trimethylbutan-2-yl)pyrimidine

C172H302N18OS2 — CID 159057938

IUPAC2,5-bis(2,2-dimethylpropyl)-1-methylpyrrole;2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole;2,5-bis(2,2-dimethylpropyl)pyrazine;3,6-bis(2,2-dimethylpropyl)pyridazine;2,5-bis(2,2-dimethylpropyl)pyrimidine;bis(2,4-bis(2,2-dimethylpropyl)-1H-pyrrole);bis(2,4-bis(2,2-dimethylpropyl)-1,3-thiazole);3-(2,2-dimethylpropyl)-6-(2,3,3-trimethylbutan-2-yl)pyridazine;5-(2,2-dimethylpropyl)-2-(2,3,3-trimethylbutan-2-yl)pyridine;2-(2,2-dimethylpropyl)-5-(2,3,3-trimethylbutan-2-yl)pyrimidine
SMILESCC(C)(C)Cc1c[nH]c(CC(C)(C)C)c1.CC(C)(C)Cc1c[nH]c(CC(C)(C)C)c1.CC(C)(C)Cc1ccc(C(C)(C)C(C)(C)C)nc1.CC(C)(C)Cc1ccc(C(C)(C)C(C)(C)C)nn1.CC(C)(C)Cc1ccc(CC(C)(C)C)nn1.CC(C)(C)Cc1cnc(CC(C)(C)C)cn1.CC(C)(C)Cc1cnc(CC(C)(C)C)nc1.CC(C)(C)Cc1csc(CC(C)(C)C)n1.CC(C)(C)Cc1csc(CC(C)(C)C)n1.CC(C)(C)Cc1ncc(C(C)(C)C(C)(C)C)cn1.CC(C)(C)Cc1nnc(CC(C)(C)C)o1.Cn1c(CC(C)(C)C)ccc1CC(C)(C)C
InChIInChI=1S/C17H29N.2C16H28N2.C15H27N.3C14H24N2.2C14H25N.2C13H23NS.C12H22N2O/c1-15(2,3)11-13-9-10-14(18-12-13)17(7,8)16(4,5)6;1-14(2,3)9-13-17-10-12(11-18-13)16(7,8)15(4,5)6;1-14(2,3)11-12-9-10-13(18-17-12)16(7,8)15(4,5)6;1-14(2,3)10-12-8-9-13(16(12)7)11-15(4,5)6;1-13(2,3)7-11-9-16-12(10-15-11)8-14(4,5)6;1-13(2,3)7-11-9-15-12(16-10-11)8-14(4,5)6;1-13(2,3)9-11-7-8-12(16-15-11)10-14(4,5)6;2*1-13(2,3)8-11-7-12(15-10-11)9-14(4,5)6;2*1-12(2,3)7-10-9-15-11(14-10)8-13(4,5)6;1-11(2,3)7-9-13-14-10(15-9)8-12(4,5)6/h9-10,12H,11H2,1-8H3;10-11H,9H2,1-8H3;9-10H,11H2,1-8H3;8-9H,10-11H2,1-7H3;2*9-10H,7-8H2,1-6H3;7-8H,9-10H2,1-6H3;2*7,10,15H,8-9H2,1-6H3;2*9H,7-8H2,1-6H3;7-8H2,1-6H3
InChIKeyJYCCDQNYPZTKSP-UHFFFAOYSA-N
MW2702.57 g/mol
LogP49.21
Rot. Bonds24

About 2,5-bis(2,2-dimethylpropyl)-1-methylpyrrole;2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole;2,5-bis(2,2-dimethylpropyl)pyrazine;3,6-bis(2,2-dimethylpropyl)pyridazine;2,5-bis(2,2-dimethylpropyl)pyrimidine;bis(2,4-bis(2,2-dimethylpropyl)-1H-pyrrole);bis(2,4-bis(2,2-dimethylpropyl)-1,3-thiazole);3-(2,2-dimethylpropyl)-6-(2,3,3-trimethylbutan-2-yl)pyridazine;5-(2,2-dimethylpropyl)-2-(2,3,3-trimethylbutan-2-yl)pyridine;2-(2,2-dimethylpropyl)-5-(2,3,3-trimethylbutan-2-yl)pyrimidine

2,5-bis(2,2-dimethylpropyl)-1-methylpyrrole;2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole;2,5-bis(2,2-dimethylpropyl)pyrazine;3,6-bis(2,2-dimethylpropyl)pyridazine;2,5-bis(2,2-dimethylpropyl)pyrimidine;bis(2,4-bis(2,2-dimethylpropyl)-1H-pyrrole);bis(2,4-bis(2,2-dimethylpropyl)-1,3-thiazole);3-(2,2-dimethylpropyl)-6-(2,3,3-trimethylbutan-2-yl)pyridazine;5-(2,2-dimethylpropyl)-2-(2,3,3-trimethylbutan-2-yl)pyridine;2-(2,2-dimethylpropyl)-5-(2,3,3-trimethylbutan-2-yl)pyrimidine (PubChem CID 159057938) has the molecular formula C172H302N18OS2 and a molecular weight of 2702.57 g/mol. Its IUPAC name is 2,5-bis(2,2-dimethylpropyl)-1-methylpyrrole;2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole;2,5-bis(2,2-dimethylpropyl)pyrazine;3,6-bis(2,2-dimethylpropyl)pyridazine;2,5-bis(2,2-dimethylpropyl)pyrimidine;bis(2,4-bis(2,2-dimethylpropyl)-1H-pyrrole);bis(2,4-bis(2,2-dimethylpropyl)-1,3-thiazole);3-(2,2-dimethylpropyl)-6-(2,3,3-trimethylbutan-2-yl)pyridazine;5-(2,2-dimethylpropyl)-2-(2,3,3-trimethylbutan-2-yl)pyridine;2-(2,2-dimethylpropyl)-5-(2,3,3-trimethylbutan-2-yl)pyrimidine.

Molecular Properties

Compound Name2,5-bis(2,2-dimethylpropyl)-1-methylpyrrole;2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole;2,5-bis(2,2-dimethylpropyl)pyrazine;3,6-bis(2,2-dimethylpropyl)pyridazine;2,5-bis(2,2-dimethylpropyl)pyrimidine;bis(2,4-bis(2,2-dimethylpropyl)-1H-pyrrole);bis(2,4-bis(2,2-dimethylpropyl)-1,3-thiazole);3-(2,2-dimethylpropyl)-6-(2,3,3-trimethylbutan-2-yl)pyridazine;5-(2,2-dimethylpropyl)-2-(2,3,3-trimethylbutan-2-yl)pyridine;2-(2,2-dimethylpropyl)-5-(2,3,3-trimethylbutan-2-yl)pyrimidine
PubChem CID159057938
Molecular FormulaC172H302N18OS2
Molecular Weight2702.57 g/mol
Exact Mass2700.36
IUPAC Name2,5-bis(2,2-dimethylpropyl)-1-methylpyrrole;2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole;2,5-bis(2,2-dimethylpropyl)pyrazine;3,6-bis(2,2-dimethylpropyl)pyridazine;2,5-bis(2,2-dimethylpropyl)pyrimidine;bis(2,4-bis(2,2-dimethylpropyl)-1H-pyrrole);bis(2,4-bis(2,2-dimethylpropyl)-1,3-thiazole);3-(2,2-dimethylpropyl)-6-(2,3,3-trimethylbutan-2-yl)pyridazine;5-(2,2-dimethylpropyl)-2-(2,3,3-trimethylbutan-2-yl)pyridine;2-(2,2-dimethylpropyl)-5-(2,3,3-trimethylbutan-2-yl)pyrimidine
SMILESCC(C)(C)Cc1c[nH]c(CC(C)(C)C)c1.CC(C)(C)Cc1c[nH]c(CC(C)(C)C)c1.CC(C)(C)Cc1ccc(C(C)(C)C(C)(C)C)nc1.CC(C)(C)Cc1ccc(C(C)(C)C(C)(C)C)nn1.CC(C)(C)Cc1ccc(CC(C)(C)C)nn1.CC(C)(C)Cc1cnc(CC(C)(C)C)cn1.CC(C)(C)Cc1cnc(CC(C)(C)C)nc1.CC(C)(C)Cc1csc(CC(C)(C)C)n1.CC(C)(C)Cc1csc(CC(C)(C)C)n1.CC(C)(C)Cc1ncc(C(C)(C)C(C)(C)C)cn1.CC(C)(C)Cc1nnc(CC(C)(C)C)o1.Cn1c(CC(C)(C)C)ccc1CC(C)(C)C
InChIInChI=1S/C17H29N.2C16H28N2.C15H27N.3C14H24N2.2C14H25N.2C13H23NS.C12H22N2O/c1-15(2,3)11-13-9-10-14(18-12-13)17(7,8)16(4,5)6;1-14(2,3)9-13-17-10-12(11-18-13)16(7,8)15(4,5)6;1-14(2,3)11-12-9-10-13(18-17-12)16(7,8)15(4,5)6;1-14(2,3)10-12-8-9-13(16(12)7)11-15(4,5)6;1-13(2,3)7-11-9-16-12(10-15-11)8-14(4,5)6;1-13(2,3)7-11-9-15-12(16-10-11)8-14(4,5)6;1-13(2,3)9-11-7-8-12(16-15-11)10-14(4,5)6;2*1-13(2,3)8-11-7-12(15-10-11)9-14(4,5)6;2*1-12(2,3)7-10-9-15-11(14-10)8-13(4,5)6;1-11(2,3)7-9-13-14-10(15-9)8-12(4,5)6/h9-10,12H,11H2,1-8H3;10-11H,9H2,1-8H3;9-10H,11H2,1-8H3;8-9H,10-11H2,1-7H3;2*9-10H,7-8H2,1-6H3;7-8H,9-10H2,1-6H3;2*7,10,15H,8-9H2,1-6H3;2*9H,7-8H2,1-6H3;7-8H2,1-6H3
InChIKeyJYCCDQNYPZTKSP-UHFFFAOYSA-N
XLogP49.21
TPSA243.00 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds24
Heavy Atoms193
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002702.57
LogP ≤ 549.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Analyze 2,5-bis(2,2-dimethylpropyl)-1-methylpyrrole;2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole;2,5-bis(2,2-dimethylpropyl)pyrazine;3,6-bis(2,2-dimethylpropyl)pyridazine;2,5-bis(2,2-dimethylpropyl)pyrimidine;bis(2,4-bis(2,2-dimethylpropyl)-1H-pyrrole);bis(2,4-bis(2,2-dimethylpropyl)-1,3-thiazole);3-(2,2-dimethylpropyl)-6-(2,3,3-trimethylbutan-2-yl)pyridazine;5-(2,2-dimethylpropyl)-2-(2,3,3-trimethylbutan-2-yl)pyridine;2-(2,2-dimethylpropyl)-5-(2,3,3-trimethylbutan-2-yl)pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2,2-dimethylpropyl)-1-methylpyrrole;2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole;2,5-bis(2,2-dimethylpropyl)pyrazine;3,6-bis(2,2-dimethylpropyl)pyridazine;2,5-bis(2,2-dimethylpropyl)pyrimidine;bis(2,4-bis(2,2-dimethylpropyl)-1H-pyrrole);bis(2,4-bis(2,2-dimethylpropyl)-1,3-thiazole);3-(2,2-dimethylpropyl)-6-(2,3,3-trimethylbutan-2-yl)pyridazine;5-(2,2-dimethylpropyl)-2-(2,3,3-trimethylbutan-2-yl)pyridine;2-(2,2-dimethylpropyl)-5-(2,3,3-trimethylbutan-2-yl)pyrimidine?
The IUPAC name of 2,5-bis(2,2-dimethylpropyl)-1-methylpyrrole;2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole;2,5-bis(2,2-dimethylpropyl)pyrazine;3,6-bis(2,2-dimethylpropyl)pyridazine;2,5-bis(2,2-dimethylpropyl)pyrimidine;bis(2,4-bis(2,2-dimethylpropyl)-1H-pyrrole);bis(2,4-bis(2,2-dimethylpropyl)-1,3-thiazole);3-(2,2-dimethylpropyl)-6-(2,3,3-trimethylbutan-2-yl)pyridazine;5-(2,2-dimethylpropyl)-2-(2,3,3-trimethylbutan-2-yl)pyridine;2-(2,2-dimethylpropyl)-5-(2,3,3-trimethylbutan-2-yl)pyrimidine (CID 159057938) is 2,5-bis(2,2-dimethylpropyl)-1-methylpyrrole;2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole;2,5-bis(2,2-dimethylpropyl)pyrazine;3,6-bis(2,2-dimethylpropyl)pyridazine;2,5-bis(2,2-dimethylpropyl)pyrimidine;bis(2,4-bis(2,2-dimethylpropyl)-1H-pyrrole);bis(2,4-bis(2,2-dimethylpropyl)-1,3-thiazole);3-(2,2-dimethylpropyl)-6-(2,3,3-trimethylbutan-2-yl)pyridazine;5-(2,2-dimethylpropyl)-2-(2,3,3-trimethylbutan-2-yl)pyridine;2-(2,2-dimethylpropyl)-5-(2,3,3-trimethylbutan-2-yl)pyrimidine.
What is the SMILES notation for 2,5-bis(2,2-dimethylpropyl)-1-methylpyrrole;2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole;2,5-bis(2,2-dimethylpropyl)pyrazine;3,6-bis(2,2-dimethylpropyl)pyridazine;2,5-bis(2,2-dimethylpropyl)pyrimidine;bis(2,4-bis(2,2-dimethylpropyl)-1H-pyrrole);bis(2,4-bis(2,2-dimethylpropyl)-1,3-thiazole);3-(2,2-dimethylpropyl)-6-(2,3,3-trimethylbutan-2-yl)pyridazine;5-(2,2-dimethylpropyl)-2-(2,3,3-trimethylbutan-2-yl)pyridine;2-(2,2-dimethylpropyl)-5-(2,3,3-trimethylbutan-2-yl)pyrimidine?
The canonical SMILES for 2,5-bis(2,2-dimethylpropyl)-1-methylpyrrole;2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole;2,5-bis(2,2-dimethylpropyl)pyrazine;3,6-bis(2,2-dimethylpropyl)pyridazine;2,5-bis(2,2-dimethylpropyl)pyrimidine;bis(2,4-bis(2,2-dimethylpropyl)-1H-pyrrole);bis(2,4-bis(2,2-dimethylpropyl)-1,3-thiazole);3-(2,2-dimethylpropyl)-6-(2,3,3-trimethylbutan-2-yl)pyridazine;5-(2,2-dimethylpropyl)-2-(2,3,3-trimethylbutan-2-yl)pyridine;2-(2,2-dimethylpropyl)-5-(2,3,3-trimethylbutan-2-yl)pyrimidine is CC(C)(C)Cc1c[nH]c(CC(C)(C)C)c1.CC(C)(C)Cc1c[nH]c(CC(C)(C)C)c1.CC(C)(C)Cc1ccc(C(C)(C)C(C)(C)C)nc1.CC(C)(C)Cc1ccc(C(C)(C)C(C)(C)C)nn1.CC(C)(C)Cc1ccc(CC(C)(C)C)nn1.CC(C)(C)Cc1cnc(CC(C)(C)C)cn1.CC(C)(C)Cc1cnc(CC(C)(C)C)nc1.CC(C)(C)Cc1csc(CC(C)(C)C)n1.CC(C)(C)Cc1csc(CC(C)(C)C)n1.CC(C)(C)Cc1ncc(C(C)(C)C(C)(C)C)cn1.CC(C)(C)Cc1nnc(CC(C)(C)C)o1.Cn1c(CC(C)(C)C)ccc1CC(C)(C)C.
What is the InChIKey of 2,5-bis(2,2-dimethylpropyl)-1-methylpyrrole;2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole;2,5-bis(2,2-dimethylpropyl)pyrazine;3,6-bis(2,2-dimethylpropyl)pyridazine;2,5-bis(2,2-dimethylpropyl)pyrimidine;bis(2,4-bis(2,2-dimethylpropyl)-1H-pyrrole);bis(2,4-bis(2,2-dimethylpropyl)-1,3-thiazole);3-(2,2-dimethylpropyl)-6-(2,3,3-trimethylbutan-2-yl)pyridazine;5-(2,2-dimethylpropyl)-2-(2,3,3-trimethylbutan-2-yl)pyridine;2-(2,2-dimethylpropyl)-5-(2,3,3-trimethylbutan-2-yl)pyrimidine?
The InChIKey is JYCCDQNYPZTKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N.2C16H28N2.C15H27N.3C14H24N2.2C14H25N.2C13H23NS.C12H22N2O/c1-15(2,3)11-13-9-10-14(18-12-13)17(7,8)16(4,5)6;1-14(2,3)9-13-17-10-12(11-18-13)16(7,8)15(4,5)6;1-14(2,3)11-12-9-10-13(18-17-12)16(7,8)15(4,5)6;1-14(2,3)10-12-8-9-13(16(12)7)11-15(4,5)6;1-13(2,3)7-11-9-16-12(10-15-11)8-14(4,5)6;1-13(2,3)7-11-9-15-12(16-10-11)8-14(4,5)6;1-13(2,3)9-11-7-8-12(16-15-11)10-14(4,5)6;2*1-13(2,3)8-11-7-12(15-10-11)9-14(4,5)6;2*1-12(2,3)7-10-9-15-11(14-10)8-13(4,5)6;1-11(2,3)7-9-13-14-10(15-9)8-12(4,5)6/h9-10,12H,11H2,1-8H3;10-11H,9H2,1-8H3;9-10H,11H2,1-8H3;8-9H,10-11H2,1-7H3;2*9-10H,7-8H2,1-6H3;7-8H,9-10H2,1-6H3;2*7,10,15H,8-9H2,1-6H3;2*9H,7-8H2,1-6H3;7-8H2,1-6H3.
What are the key properties of 2,5-bis(2,2-dimethylpropyl)-1-methylpyrrole;2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole;2,5-bis(2,2-dimethylpropyl)pyrazine;3,6-bis(2,2-dimethylpropyl)pyridazine;2,5-bis(2,2-dimethylpropyl)pyrimidine;bis(2,4-bis(2,2-dimethylpropyl)-1H-pyrrole);bis(2,4-bis(2,2-dimethylpropyl)-1,3-thiazole);3-(2,2-dimethylpropyl)-6-(2,3,3-trimethylbutan-2-yl)pyridazine;5-(2,2-dimethylpropyl)-2-(2,3,3-trimethylbutan-2-yl)pyridine;2-(2,2-dimethylpropyl)-5-(2,3,3-trimethylbutan-2-yl)pyrimidine?
2,5-bis(2,2-dimethylpropyl)-1-methylpyrrole;2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole;2,5-bis(2,2-dimethylpropyl)pyrazine;3,6-bis(2,2-dimethylpropyl)pyridazine;2,5-bis(2,2-dimethylpropyl)pyrimidine;bis(2,4-bis(2,2-dimethylpropyl)-1H-pyrrole);bis(2,4-bis(2,2-dimethylpropyl)-1,3-thiazole);3-(2,2-dimethylpropyl)-6-(2,3,3-trimethylbutan-2-yl)pyridazine;5-(2,2-dimethylpropyl)-2-(2,3,3-trimethylbutan-2-yl)pyridine;2-(2,2-dimethylpropyl)-5-(2,3,3-trimethylbutan-2-yl)pyrimidine has a molecular weight of 2702.57 g/mol, XLogP of 49.21, 24 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2,2-dimethylpropyl)-1-methylpyrrole;2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole;2,5-bis(2,2-dimethylpropyl)pyrazine;3,6-bis(2,2-dimethylpropyl)pyridazine;2,5-bis(2,2-dimethylpropyl)pyrimidine;bis(2,4-bis(2,2-dimethylpropyl)-1H-pyrrole);bis(2,4-bis(2,2-dimethylpropyl)-1,3-thiazole);3-(2,2-dimethylpropyl)-6-(2,3,3-trimethylbutan-2-yl)pyridazine;5-(2,2-dimethylpropyl)-2-(2,3,3-trimethylbutan-2-yl)pyridine;2-(2,2-dimethylpropyl)-5-(2,3,3-trimethylbutan-2-yl)pyrimidine is sourced from PubChem (CID 159057938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).