2-methyl-5-(4-propan-2-ylphenyl)pyrimidine;tris(5-methyl-2-(4-propan-2-ylphenyl)pyrimidine);1-phenyl-4-propan-2-ylbenzene;3-(3-propan-2-ylphenyl)furan;2-(4-propan-2-ylphenyl)pyrazine;2-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;2-(4-propan-2-ylphenyl)-1,3-thiazole;2-(3-propan-2-ylphenyl)thiophene;3-(3-propan-2-ylphenyl)thiophene

C162H178N14OS3 — CID 157462105

IUPAC2-methyl-5-(4-propan-2-ylphenyl)pyrimidine;tris(5-methyl-2-(4-propan-2-ylphenyl)pyrimidine);1-phenyl-4-propan-2-ylbenzene;3-(3-propan-2-ylphenyl)furan;2-(4-propan-2-ylphenyl)pyrazine;2-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;2-(4-propan-2-ylphenyl)-1,3-thiazole;2-(3-propan-2-ylphenyl)thiophene;3-(3-propan-2-ylphenyl)thiophene
SMILESCC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc(-c2ccccn2)cc1.CC(C)c1ccc(-c2cnccn2)cc1.CC(C)c1ccc(-c2ncccn2)cc1.CC(C)c1ccc(-c2nccs2)cc1.CC(C)c1cccc(-c2cccs2)c1.CC(C)c1cccc(-c2ccoc2)c1.CC(C)c1cccc(-c2ccsc2)c1.Cc1cnc(-c2ccc(C(C)C)cc2)nc1.Cc1cnc(-c2ccc(C(C)C)cc2)nc1.Cc1cnc(-c2ccc(C(C)C)cc2)nc1.Cc1ncc(-c2ccc(C(C)C)cc2)cn1
InChIInChI=1S/C15H16.4C14H16N2.C14H15N.2C13H14N2.C13H14O.2C13H14S.C12H13NS/c1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-10(2)12-4-6-13(7-5-12)14-8-15-11(3)16-9-14;3*1-10(2)12-4-6-13(7-5-12)14-15-8-11(3)9-16-14;1-11(2)12-6-8-13(9-7-12)14-5-3-4-10-15-14;1-10(2)11-4-6-12(7-5-11)13-14-8-3-9-15-13;1-10(2)11-3-5-12(6-4-11)13-9-14-7-8-15-13;1-10(2)11-4-3-5-12(8-11)13-6-7-14-9-13;1-10(2)11-5-3-6-12(9-11)13-7-4-8-14-13;1-10(2)11-4-3-5-12(8-11)13-6-7-14-9-13;1-9(2)10-3-5-11(6-4-10)12-13-7-8-14-12/h3-12H,1-2H3;4*4-10H,1-3H3;3-11H,1-2H3;2*3-10H,1-2H3;3*3-10H,1-2H3;3-9H,1-2H3
InChIKeyBUAUGFATAASGJJ-UHFFFAOYSA-N
MW2433.50 g/mol
LogP46.27
Rot. Bonds24

About 2-methyl-5-(4-propan-2-ylphenyl)pyrimidine;tris(5-methyl-2-(4-propan-2-ylphenyl)pyrimidine);1-phenyl-4-propan-2-ylbenzene;3-(3-propan-2-ylphenyl)furan;2-(4-propan-2-ylphenyl)pyrazine;2-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;2-(4-propan-2-ylphenyl)-1,3-thiazole;2-(3-propan-2-ylphenyl)thiophene;3-(3-propan-2-ylphenyl)thiophene

2-methyl-5-(4-propan-2-ylphenyl)pyrimidine;tris(5-methyl-2-(4-propan-2-ylphenyl)pyrimidine);1-phenyl-4-propan-2-ylbenzene;3-(3-propan-2-ylphenyl)furan;2-(4-propan-2-ylphenyl)pyrazine;2-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;2-(4-propan-2-ylphenyl)-1,3-thiazole;2-(3-propan-2-ylphenyl)thiophene;3-(3-propan-2-ylphenyl)thiophene (PubChem CID 157462105) has the molecular formula C162H178N14OS3 and a molecular weight of 2433.50 g/mol. Its IUPAC name is 2-methyl-5-(4-propan-2-ylphenyl)pyrimidine;tris(5-methyl-2-(4-propan-2-ylphenyl)pyrimidine);1-phenyl-4-propan-2-ylbenzene;3-(3-propan-2-ylphenyl)furan;2-(4-propan-2-ylphenyl)pyrazine;2-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;2-(4-propan-2-ylphenyl)-1,3-thiazole;2-(3-propan-2-ylphenyl)thiophene;3-(3-propan-2-ylphenyl)thiophene.

Molecular Properties

Compound Name2-methyl-5-(4-propan-2-ylphenyl)pyrimidine;tris(5-methyl-2-(4-propan-2-ylphenyl)pyrimidine);1-phenyl-4-propan-2-ylbenzene;3-(3-propan-2-ylphenyl)furan;2-(4-propan-2-ylphenyl)pyrazine;2-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;2-(4-propan-2-ylphenyl)-1,3-thiazole;2-(3-propan-2-ylphenyl)thiophene;3-(3-propan-2-ylphenyl)thiophene
PubChem CID157462105
Molecular FormulaC162H178N14OS3
Molecular Weight2433.50 g/mol
Exact Mass2431.35
IUPAC Name2-methyl-5-(4-propan-2-ylphenyl)pyrimidine;tris(5-methyl-2-(4-propan-2-ylphenyl)pyrimidine);1-phenyl-4-propan-2-ylbenzene;3-(3-propan-2-ylphenyl)furan;2-(4-propan-2-ylphenyl)pyrazine;2-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;2-(4-propan-2-ylphenyl)-1,3-thiazole;2-(3-propan-2-ylphenyl)thiophene;3-(3-propan-2-ylphenyl)thiophene
SMILESCC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc(-c2ccccn2)cc1.CC(C)c1ccc(-c2cnccn2)cc1.CC(C)c1ccc(-c2ncccn2)cc1.CC(C)c1ccc(-c2nccs2)cc1.CC(C)c1cccc(-c2cccs2)c1.CC(C)c1cccc(-c2ccoc2)c1.CC(C)c1cccc(-c2ccsc2)c1.Cc1cnc(-c2ccc(C(C)C)cc2)nc1.Cc1cnc(-c2ccc(C(C)C)cc2)nc1.Cc1cnc(-c2ccc(C(C)C)cc2)nc1.Cc1ncc(-c2ccc(C(C)C)cc2)cn1
InChIInChI=1S/C15H16.4C14H16N2.C14H15N.2C13H14N2.C13H14O.2C13H14S.C12H13NS/c1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-10(2)12-4-6-13(7-5-12)14-8-15-11(3)16-9-14;3*1-10(2)12-4-6-13(7-5-12)14-15-8-11(3)9-16-14;1-11(2)12-6-8-13(9-7-12)14-5-3-4-10-15-14;1-10(2)11-4-6-12(7-5-11)13-14-8-3-9-15-13;1-10(2)11-3-5-12(6-4-11)13-9-14-7-8-15-13;1-10(2)11-4-3-5-12(8-11)13-6-7-14-9-13;1-10(2)11-5-3-6-12(9-11)13-7-4-8-14-13;1-10(2)11-4-3-5-12(8-11)13-6-7-14-9-13;1-9(2)10-3-5-11(6-4-10)12-13-7-8-14-12/h3-12H,1-2H3;4*4-10H,1-3H3;3-11H,1-2H3;2*3-10H,1-2H3;3*3-10H,1-2H3;3-9H,1-2H3
InChIKeyBUAUGFATAASGJJ-UHFFFAOYSA-N
XLogP46.27
TPSA193.60 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms180
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002433.50
LogP ≤ 546.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 2-methyl-5-(4-propan-2-ylphenyl)pyrimidine;tris(5-methyl-2-(4-propan-2-ylphenyl)pyrimidine);1-phenyl-4-propan-2-ylbenzene;3-(3-propan-2-ylphenyl)furan;2-(4-propan-2-ylphenyl)pyrazine;2-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;2-(4-propan-2-ylphenyl)-1,3-thiazole;2-(3-propan-2-ylphenyl)thiophene;3-(3-propan-2-ylphenyl)thiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-propan-2-ylphenyl)pyrimidine;tris(5-methyl-2-(4-propan-2-ylphenyl)pyrimidine);1-phenyl-4-propan-2-ylbenzene;3-(3-propan-2-ylphenyl)furan;2-(4-propan-2-ylphenyl)pyrazine;2-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;2-(4-propan-2-ylphenyl)-1,3-thiazole;2-(3-propan-2-ylphenyl)thiophene;3-(3-propan-2-ylphenyl)thiophene?
The IUPAC name of 2-methyl-5-(4-propan-2-ylphenyl)pyrimidine;tris(5-methyl-2-(4-propan-2-ylphenyl)pyrimidine);1-phenyl-4-propan-2-ylbenzene;3-(3-propan-2-ylphenyl)furan;2-(4-propan-2-ylphenyl)pyrazine;2-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;2-(4-propan-2-ylphenyl)-1,3-thiazole;2-(3-propan-2-ylphenyl)thiophene;3-(3-propan-2-ylphenyl)thiophene (CID 157462105) is 2-methyl-5-(4-propan-2-ylphenyl)pyrimidine;tris(5-methyl-2-(4-propan-2-ylphenyl)pyrimidine);1-phenyl-4-propan-2-ylbenzene;3-(3-propan-2-ylphenyl)furan;2-(4-propan-2-ylphenyl)pyrazine;2-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;2-(4-propan-2-ylphenyl)-1,3-thiazole;2-(3-propan-2-ylphenyl)thiophene;3-(3-propan-2-ylphenyl)thiophene.
What is the SMILES notation for 2-methyl-5-(4-propan-2-ylphenyl)pyrimidine;tris(5-methyl-2-(4-propan-2-ylphenyl)pyrimidine);1-phenyl-4-propan-2-ylbenzene;3-(3-propan-2-ylphenyl)furan;2-(4-propan-2-ylphenyl)pyrazine;2-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;2-(4-propan-2-ylphenyl)-1,3-thiazole;2-(3-propan-2-ylphenyl)thiophene;3-(3-propan-2-ylphenyl)thiophene?
The canonical SMILES for 2-methyl-5-(4-propan-2-ylphenyl)pyrimidine;tris(5-methyl-2-(4-propan-2-ylphenyl)pyrimidine);1-phenyl-4-propan-2-ylbenzene;3-(3-propan-2-ylphenyl)furan;2-(4-propan-2-ylphenyl)pyrazine;2-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;2-(4-propan-2-ylphenyl)-1,3-thiazole;2-(3-propan-2-ylphenyl)thiophene;3-(3-propan-2-ylphenyl)thiophene is CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc(-c2ccccn2)cc1.CC(C)c1ccc(-c2cnccn2)cc1.CC(C)c1ccc(-c2ncccn2)cc1.CC(C)c1ccc(-c2nccs2)cc1.CC(C)c1cccc(-c2cccs2)c1.CC(C)c1cccc(-c2ccoc2)c1.CC(C)c1cccc(-c2ccsc2)c1.Cc1cnc(-c2ccc(C(C)C)cc2)nc1.Cc1cnc(-c2ccc(C(C)C)cc2)nc1.Cc1cnc(-c2ccc(C(C)C)cc2)nc1.Cc1ncc(-c2ccc(C(C)C)cc2)cn1.
What is the InChIKey of 2-methyl-5-(4-propan-2-ylphenyl)pyrimidine;tris(5-methyl-2-(4-propan-2-ylphenyl)pyrimidine);1-phenyl-4-propan-2-ylbenzene;3-(3-propan-2-ylphenyl)furan;2-(4-propan-2-ylphenyl)pyrazine;2-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;2-(4-propan-2-ylphenyl)-1,3-thiazole;2-(3-propan-2-ylphenyl)thiophene;3-(3-propan-2-ylphenyl)thiophene?
The InChIKey is BUAUGFATAASGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16.4C14H16N2.C14H15N.2C13H14N2.C13H14O.2C13H14S.C12H13NS/c1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-10(2)12-4-6-13(7-5-12)14-8-15-11(3)16-9-14;3*1-10(2)12-4-6-13(7-5-12)14-15-8-11(3)9-16-14;1-11(2)12-6-8-13(9-7-12)14-5-3-4-10-15-14;1-10(2)11-4-6-12(7-5-11)13-14-8-3-9-15-13;1-10(2)11-3-5-12(6-4-11)13-9-14-7-8-15-13;1-10(2)11-4-3-5-12(8-11)13-6-7-14-9-13;1-10(2)11-5-3-6-12(9-11)13-7-4-8-14-13;1-10(2)11-4-3-5-12(8-11)13-6-7-14-9-13;1-9(2)10-3-5-11(6-4-10)12-13-7-8-14-12/h3-12H,1-2H3;4*4-10H,1-3H3;3-11H,1-2H3;2*3-10H,1-2H3;3*3-10H,1-2H3;3-9H,1-2H3.
What are the key properties of 2-methyl-5-(4-propan-2-ylphenyl)pyrimidine;tris(5-methyl-2-(4-propan-2-ylphenyl)pyrimidine);1-phenyl-4-propan-2-ylbenzene;3-(3-propan-2-ylphenyl)furan;2-(4-propan-2-ylphenyl)pyrazine;2-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;2-(4-propan-2-ylphenyl)-1,3-thiazole;2-(3-propan-2-ylphenyl)thiophene;3-(3-propan-2-ylphenyl)thiophene?
2-methyl-5-(4-propan-2-ylphenyl)pyrimidine;tris(5-methyl-2-(4-propan-2-ylphenyl)pyrimidine);1-phenyl-4-propan-2-ylbenzene;3-(3-propan-2-ylphenyl)furan;2-(4-propan-2-ylphenyl)pyrazine;2-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;2-(4-propan-2-ylphenyl)-1,3-thiazole;2-(3-propan-2-ylphenyl)thiophene;3-(3-propan-2-ylphenyl)thiophene has a molecular weight of 2433.50 g/mol, XLogP of 46.27, 24 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-propan-2-ylphenyl)pyrimidine;tris(5-methyl-2-(4-propan-2-ylphenyl)pyrimidine);1-phenyl-4-propan-2-ylbenzene;3-(3-propan-2-ylphenyl)furan;2-(4-propan-2-ylphenyl)pyrazine;2-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;2-(4-propan-2-ylphenyl)-1,3-thiazole;2-(3-propan-2-ylphenyl)thiophene;3-(3-propan-2-ylphenyl)thiophene is sourced from PubChem (CID 157462105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).