bis(2-tert-butyl-4,5-dihydropyrimidine);bis(2-tert-butyl-4H-imidazole);2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;bis(2-tert-butylpyrimidine);5-tert-butylpyrimidine;1-tert-butylpyrrole;bis(2-tert-butyl-1,3-thiazole);3-tert-butyl-1,2,4-triazine;6-tert-butyl-1,2,4-triazine;methane;2-methyl-1,3-oxazole — IUPAC name, SMILES, InChIKey & properties

Name: bis(2-tert-butyl-4,5-dihydropyrimidine);bis(2-tert-butyl-4H-imidazole);2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;bis(2-tert-butylpyrimidine);5-tert-butylpyrimidine;1-tert-butylpyrrole;bis(2-tert-butyl-1,3-thiazole);3-tert-butyl-1,2,4-triazine;6-tert-butyl-1,2,4-triazine;methane;2-methyl-1,3-oxazole — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About bis(2-tert-butyl-4,5-dihydropyrimidine);bis(2-tert-butyl-4H-imidazole);2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;bis(2-tert-butylpyrimidine);5-tert-butylpyrimidine;1-tert-butylpyrrole;bis(2-tert-butyl-1,3-thiazole);3-tert-butyl-1,2,4-triazine;6-tert-butyl-1,2,4-triazine;methane;2-methyl-1,3-oxazole

bis(2-tert-butyl-4,5-dihydropyrimidine);bis(2-tert-butyl-4H-imidazole);2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;bis(2-tert-butylpyrimidine);5-tert-butylpyrimidine;1-tert-butylpyrrole;bis(2-tert-butyl-1,3-thiazole);3-tert-butyl-1,2,4-triazine;6-tert-butyl-1,2,4-triazine;methane;2-methyl-1,3-oxazole (PubChem CID 159455611) has the molecular formula C120H198N28O2S2 and a molecular weight of 2129.23 g/mol. Its IUPAC name is bis(2-tert-butyl-4,5-dihydropyrimidine);bis(2-tert-butyl-4H-imidazole);2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;bis(2-tert-butylpyrimidine);5-tert-butylpyrimidine;1-tert-butylpyrrole;bis(2-tert-butyl-1,3-thiazole);3-tert-butyl-1,2,4-triazine;6-tert-butyl-1,2,4-triazine;methane;2-methyl-1,3-oxazole.

Molecular Properties

Compound Name	bis(2-tert-butyl-4,5-dihydropyrimidine);bis(2-tert-butyl-4H-imidazole);2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;bis(2-tert-butylpyrimidine);5-tert-butylpyrimidine;1-tert-butylpyrrole;bis(2-tert-butyl-1,3-thiazole);3-tert-butyl-1,2,4-triazine;6-tert-butyl-1,2,4-triazine;methane;2-methyl-1,3-oxazole
PubChem CID	159455611
Molecular Formula	C120H198N28O2S2
Molecular Weight	2129.23 g/mol
Exact Mass	2127.57
IUPAC Name	bis(2-tert-butyl-4,5-dihydropyrimidine);bis(2-tert-butyl-4H-imidazole);2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;bis(2-tert-butylpyrimidine);5-tert-butylpyrimidine;1-tert-butylpyrrole;bis(2-tert-butyl-1,3-thiazole);3-tert-butyl-1,2,4-triazine;6-tert-butyl-1,2,4-triazine;methane;2-methyl-1,3-oxazole
SMILES	C.C.C.CC(C)(C)C1=NCC=N1.CC(C)(C)C1=NCC=N1.CC(C)(C)C1=NCCC=N1.CC(C)(C)C1=NCCC=N1.CC(C)(C)c1ccccn1.CC(C)(C)c1cncnc1.CC(C)(C)c1cncnn1.CC(C)(C)c1ncccn1.CC(C)(C)c1ncccn1.CC(C)(C)c1nccnn1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.CC(C)(C)c1nccs1.CC(C)(C)n1cccc1.CC(C)(C)n1cccn1.Cc1ncco1
InChI	InChI=1S/C9H13N.C8H12N2.2C8H14N2.2C8H12N2.C8H13N.2C7H11N3.3C7H12N2.C7H11NO.2C7H11NS.C4H5NO.3CH4/c1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-4-9-6-10-5-7;41-8(2,3)7-9-5-4-6-10-7;1-8(2,3)9-6-4-5-7-9;1-7(2,3)6-4-8-5-9-10-6;1-7(2,3)6-8-4-5-9-10-6;21-7(2,3)6-8-4-5-9-6;1-7(2,3)9-6-4-5-8-9;31-7(2,3)6-8-4-5-9-6;1-4-5-2-3-6-4;;;/h4-7H,1-3H3;4-6H,1-3H3;25H,4,6H2,1-3H3;24-6H,1-3H3;4-7H,1-3H3;24-5H,1-3H3;24H,5H2,1-3H3;4-6H,1-3H3;34-5H,1-3H3;2-3H,1H3;3*1H4
InChIKey	LTXXCMFBYDUPGE-UHFFFAOYSA-N
XLogP	30.51
TPSA	367.04 Å²
H-Bond Donors
H-Bond Acceptors	32
Rotatable Bonds
Heavy Atoms	152
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2129.23
LogP ≤ 5	30.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Analyze bis(2-tert-butyl-4,5-dihydropyrimidine);bis(2-tert-butyl-4H-imidazole);2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;bis(2-tert-butylpyrimidine);5-tert-butylpyrimidine;1-tert-butylpyrrole;bis(2-tert-butyl-1,3-thiazole);3-tert-butyl-1,2,4-triazine;6-tert-butyl-1,2,4-triazine;methane;2-methyl-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(2-tert-butyl-4,5-dihydropyrimidine);bis(2-tert-butyl-4H-imidazole);2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;bis(2-tert-butylpyrimidine);5-tert-butylpyrimidine;1-tert-butylpyrrole;bis(2-tert-butyl-1,3-thiazole);3-tert-butyl-1,2,4-triazine;6-tert-butyl-1,2,4-triazine;methane;2-methyl-1,3-oxazole?

The IUPAC name of bis(2-tert-butyl-4,5-dihydropyrimidine);bis(2-tert-butyl-4H-imidazole);2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;bis(2-tert-butylpyrimidine);5-tert-butylpyrimidine;1-tert-butylpyrrole;bis(2-tert-butyl-1,3-thiazole);3-tert-butyl-1,2,4-triazine;6-tert-butyl-1,2,4-triazine;methane;2-methyl-1,3-oxazole (CID 159455611) is bis(2-tert-butyl-4,5-dihydropyrimidine);bis(2-tert-butyl-4H-imidazole);2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;bis(2-tert-butylpyrimidine);5-tert-butylpyrimidine;1-tert-butylpyrrole;bis(2-tert-butyl-1,3-thiazole);3-tert-butyl-1,2,4-triazine;6-tert-butyl-1,2,4-triazine;methane;2-methyl-1,3-oxazole.

What is the SMILES notation for bis(2-tert-butyl-4,5-dihydropyrimidine);bis(2-tert-butyl-4H-imidazole);2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;bis(2-tert-butylpyrimidine);5-tert-butylpyrimidine;1-tert-butylpyrrole;bis(2-tert-butyl-1,3-thiazole);3-tert-butyl-1,2,4-triazine;6-tert-butyl-1,2,4-triazine;methane;2-methyl-1,3-oxazole?

The canonical SMILES for bis(2-tert-butyl-4,5-dihydropyrimidine);bis(2-tert-butyl-4H-imidazole);2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;bis(2-tert-butylpyrimidine);5-tert-butylpyrimidine;1-tert-butylpyrrole;bis(2-tert-butyl-1,3-thiazole);3-tert-butyl-1,2,4-triazine;6-tert-butyl-1,2,4-triazine;methane;2-methyl-1,3-oxazole is C.C.C.CC(C)(C)C1=NCC=N1.CC(C)(C)C1=NCC=N1.CC(C)(C)C1=NCCC=N1.CC(C)(C)C1=NCCC=N1.CC(C)(C)c1ccccn1.CC(C)(C)c1cncnc1.CC(C)(C)c1cncnn1.CC(C)(C)c1ncccn1.CC(C)(C)c1ncccn1.CC(C)(C)c1nccnn1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.CC(C)(C)c1nccs1.CC(C)(C)n1cccc1.CC(C)(C)n1cccn1.Cc1ncco1.

What is the InChIKey of bis(2-tert-butyl-4,5-dihydropyrimidine);bis(2-tert-butyl-4H-imidazole);2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;bis(2-tert-butylpyrimidine);5-tert-butylpyrimidine;1-tert-butylpyrrole;bis(2-tert-butyl-1,3-thiazole);3-tert-butyl-1,2,4-triazine;6-tert-butyl-1,2,4-triazine;methane;2-methyl-1,3-oxazole?

The InChIKey is LTXXCMFBYDUPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.C8H12N2.2C8H14N2.2C8H12N2.C8H13N.2C7H11N3.3C7H12N2.C7H11NO.2C7H11NS.C4H5NO.3CH4/c1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-4-9-6-10-5-7;4*1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)9-6-4-5-7-9;1-7(2,3)6-4-8-5-9-10-6;1-7(2,3)6-8-4-5-9-10-6;2*1-7(2,3)6-8-4-5-9-6;1-7(2,3)9-6-4-5-8-9;3*1-7(2,3)6-8-4-5-9-6;1-4-5-2-3-6-4;;;/h4-7H,1-3H3;4-6H,1-3H3;2*5H,4,6H2,1-3H3;2*4-6H,1-3H3;4-7H,1-3H3;2*4-5H,1-3H3;2*4H,5H2,1-3H3;4-6H,1-3H3;3*4-5H,1-3H3;2-3H,1H3;3*1H4.

What are the key properties of bis(2-tert-butyl-4,5-dihydropyrimidine);bis(2-tert-butyl-4H-imidazole);2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;bis(2-tert-butylpyrimidine);5-tert-butylpyrimidine;1-tert-butylpyrrole;bis(2-tert-butyl-1,3-thiazole);3-tert-butyl-1,2,4-triazine;6-tert-butyl-1,2,4-triazine;methane;2-methyl-1,3-oxazole?

Where does this data come from?

All data for bis(2-tert-butyl-4,5-dihydropyrimidine);bis(2-tert-butyl-4H-imidazole);2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;bis(2-tert-butylpyrimidine);5-tert-butylpyrimidine;1-tert-butylpyrrole;bis(2-tert-butyl-1,3-thiazole);3-tert-butyl-1,2,4-triazine;6-tert-butyl-1,2,4-triazine;methane;2-methyl-1,3-oxazole is sourced from PubChem (CID 159455611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).