2-methyl-5-(4-propan-2-ylphenyl)pyrimidine;tris(5-methyl-2-(4-propan-2-ylphenyl)pyrimidine);2-(4-propan-2-ylphenyl)pyrazine;2-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene

C109H126N14S2 — CID 158608596

IUPAC2-methyl-5-(4-propan-2-ylphenyl)pyrimidine;tris(5-methyl-2-(4-propan-2-ylphenyl)pyrimidine);2-(4-propan-2-ylphenyl)pyrazine;2-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
SMILESCC(C)c1ccc(-c2ccccn2)cc1.CC(C)c1ccc(-c2cnccn2)cc1.CC(C)c1ccc(-c2ncccn2)cc1.CC(C)c1cccs1.CC(C)c1nccs1.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/4C14H16N2.C14H15N.2C13H14N2.C7H10S.C6H9NS/c1-10(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;1-6(2)7-4-3-5-8-7;1-5(2)6-7-3-4-8-6/h4*4-10H,1-3H3;3-11H,1-2H3;2*3-10H,1-2H3;3-6H,1-2H3;3-5H,1-2H3
InChIKeyHWNWXKSYILCINI-UHFFFAOYSA-N
MW1696.44 g/mol
LogP29.85
Rot. Bonds16

About 2-methyl-5-(4-propan-2-ylphenyl)pyrimidine;tris(5-methyl-2-(4-propan-2-ylphenyl)pyrimidine);2-(4-propan-2-ylphenyl)pyrazine;2-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene

2-methyl-5-(4-propan-2-ylphenyl)pyrimidine;tris(5-methyl-2-(4-propan-2-ylphenyl)pyrimidine);2-(4-propan-2-ylphenyl)pyrazine;2-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene (PubChem CID 158608596) has the molecular formula C109H126N14S2 and a molecular weight of 1696.44 g/mol. Its IUPAC name is 2-methyl-5-(4-propan-2-ylphenyl)pyrimidine;tris(5-methyl-2-(4-propan-2-ylphenyl)pyrimidine);2-(4-propan-2-ylphenyl)pyrazine;2-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene.

Molecular Properties

Compound Name2-methyl-5-(4-propan-2-ylphenyl)pyrimidine;tris(5-methyl-2-(4-propan-2-ylphenyl)pyrimidine);2-(4-propan-2-ylphenyl)pyrazine;2-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
PubChem CID158608596
Molecular FormulaC109H126N14S2
Molecular Weight1696.44 g/mol
Exact Mass1694.97
IUPAC Name2-methyl-5-(4-propan-2-ylphenyl)pyrimidine;tris(5-methyl-2-(4-propan-2-ylphenyl)pyrimidine);2-(4-propan-2-ylphenyl)pyrazine;2-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
SMILESCC(C)c1ccc(-c2ccccn2)cc1.CC(C)c1ccc(-c2cnccn2)cc1.CC(C)c1ccc(-c2ncccn2)cc1.CC(C)c1cccs1.CC(C)c1nccs1.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/4C14H16N2.C14H15N.2C13H14N2.C7H10S.C6H9NS/c1-10(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;1-6(2)7-4-3-5-8-7;1-5(2)6-7-3-4-8-6/h4*4-10H,1-3H3;3-11H,1-2H3;2*3-10H,1-2H3;3-6H,1-2H3;3-5H,1-2H3
InChIKeyHWNWXKSYILCINI-UHFFFAOYSA-N
XLogP29.85
TPSA180.46 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001696.44
LogP ≤ 529.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 2-methyl-5-(4-propan-2-ylphenyl)pyrimidine;tris(5-methyl-2-(4-propan-2-ylphenyl)pyrimidine);2-(4-propan-2-ylphenyl)pyrazine;2-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene with MolForge

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Related Compounds

2-(3-methyl-5-pyridin-2-ylphenyl)pyrazine
CID 144553934
5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
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iridium;tris(2-[4-(4-methylphenyl)phenyl]pyridine)
CID 173084530
2-methyl-4-(3-phenylphenyl)-6-pyridin-4-yl-1,3,5-triazine;2-methyl-4-(4-phenylphenyl)-6-pyridin-4-yl-1,3,5-triazine;2-methyl-4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-methyl-4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine
CID 160549129
2-(4-methylphenyl)-4-phenylpyrimidine;2-(4-methylphenyl)-4-phenyl-1,3,5-triazine;2-methyl-5-phenylpyrimidine;4-methyl-2-phenylpyrimidine;2-methyl-5-pyridin-3-ylpyridine;4-methyl-2-pyridin-3-ylpyrimidine;5-methyl-2-pyridin-3-ylpyrimidine;5-methyl-2-pyridin-4-ylpyrimidine
CID 159135265
cumene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene
CID 158523249
2-[3,5-bis(4-pyrazin-2-ylphenyl)phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 58382626
benzene;1,1'-biphenyl;1,3-diphenylbenzene;1,4-diphenylbenzene;ethane;2-phenylpyrazine;2-phenylpyridine;3-phenylpyridine;4-phenylpyridine;2-phenylpyrimidine;4-phenylpyrimidine;5-phenylpyrimidine;pyrazine;pyridine;pyrimidine;1,3,5-triazine
CID 161346020
2-(4-propan-2-ylphenyl)-4,6-dithiophen-2-yl-1,3,5-triazine
CID 126550812
2-pyridin-2-yl-4-(4-pyridin-2-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
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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);2-(4-propan-2-ylphenyl)pyrazine;2-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene?
The IUPAC name of 2-methyl-5-(4-propan-2-ylphenyl)pyrimidine;tris(5-methyl-2-(4-propan-2-ylphenyl)pyrimidine);2-(4-propan-2-ylphenyl)pyrazine;2-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene (CID 158608596) is 2-methyl-5-(4-propan-2-ylphenyl)pyrimidine;tris(5-methyl-2-(4-propan-2-ylphenyl)pyrimidine);2-(4-propan-2-ylphenyl)pyrazine;2-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene.
What is the SMILES notation for 2-methyl-5-(4-propan-2-ylphenyl)pyrimidine;tris(5-methyl-2-(4-propan-2-ylphenyl)pyrimidine);2-(4-propan-2-ylphenyl)pyrazine;2-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene?
The canonical SMILES for 2-methyl-5-(4-propan-2-ylphenyl)pyrimidine;tris(5-methyl-2-(4-propan-2-ylphenyl)pyrimidine);2-(4-propan-2-ylphenyl)pyrazine;2-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene is CC(C)c1ccc(-c2ccccn2)cc1.CC(C)c1ccc(-c2cnccn2)cc1.CC(C)c1ccc(-c2ncccn2)cc1.CC(C)c1cccs1.CC(C)c1nccs1.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);2-(4-propan-2-ylphenyl)pyrazine;2-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene?
The InChIKey is HWNWXKSYILCINI-UHFFFAOYSA-N. The full InChI is InChI=1S/4C14H16N2.C14H15N.2C13H14N2.C7H10S.C6H9NS/c1-10(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;1-6(2)7-4-3-5-8-7;1-5(2)6-7-3-4-8-6/h4*4-10H,1-3H3;3-11H,1-2H3;2*3-10H,1-2H3;3-6H,1-2H3;3-5H,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);2-(4-propan-2-ylphenyl)pyrazine;2-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene?
2-methyl-5-(4-propan-2-ylphenyl)pyrimidine;tris(5-methyl-2-(4-propan-2-ylphenyl)pyrimidine);2-(4-propan-2-ylphenyl)pyrazine;2-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene has a molecular weight of 1696.44 g/mol, XLogP of 29.85, 16 rotatable bonds, 0 hydrogen bond donors, and 16 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);2-(4-propan-2-ylphenyl)pyrazine;2-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene is sourced from PubChem (CID 158608596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).