bis(2-tert-butyl-4-ethenylpyrimidine);bis(4-tert-butyl-2-ethenylpyrimidine);bis(4-tert-butyl-6-ethenylpyrimidine);bis(2-tert-butyl-4-ethynylpyrimidine);bis(4-tert-butyl-2-ethynylpyrimidine);bis(4-tert-butyl-6-ethynylpyrimidine);5-tert-butyl-2-methylpyrimidine

C129H170N26 — CID 161389409

IUPACbis(2-tert-butyl-4-ethenylpyrimidine);bis(4-tert-butyl-2-ethenylpyrimidine);bis(4-tert-butyl-6-ethenylpyrimidine);bis(2-tert-butyl-4-ethynylpyrimidine);bis(4-tert-butyl-2-ethynylpyrimidine);bis(4-tert-butyl-6-ethynylpyrimidine);5-tert-butyl-2-methylpyrimidine
SMILESC#Cc1cc(C(C)(C)C)ncn1.C#Cc1cc(C(C)(C)C)ncn1.C#Cc1ccnc(C(C)(C)C)n1.C#Cc1ccnc(C(C)(C)C)n1.C#Cc1nccc(C(C)(C)C)n1.C#Cc1nccc(C(C)(C)C)n1.C=Cc1cc(C(C)(C)C)ncn1.C=Cc1cc(C(C)(C)C)ncn1.C=Cc1ccnc(C(C)(C)C)n1.C=Cc1ccnc(C(C)(C)C)n1.C=Cc1nccc(C(C)(C)C)n1.C=Cc1nccc(C(C)(C)C)n1.Cc1ncc(C(C)(C)C)cn1
InChIInChI=1S/2C10H14N2.2C10H12N2.2C10H14N2.2C10H12N2.2C10H14N2.2C10H12N2.C9H14N2/c4*1-5-8-6-9(10(2,3)4)12-7-11-8;4*1-5-9-11-7-6-8(12-9)10(2,3)4;4*1-5-8-6-7-11-9(12-8)10(2,3)4;1-7-10-5-8(6-11-7)9(2,3)4/h2*5-7H,1H2,2-4H3;2*1,6-7H,2-4H3;2*5-7H,1H2,2-4H3;2*1,6-7H,2-4H3;2*5-7H,1H2,2-4H3;2*1,6-7H,2-4H3;5-6H,1-4H3
InChIKeyVSUANQOGPHXGIJ-UHFFFAOYSA-N
MW2084.96 g/mol
LogP27.12
Rot. Bonds6

About bis(2-tert-butyl-4-ethenylpyrimidine);bis(4-tert-butyl-2-ethenylpyrimidine);bis(4-tert-butyl-6-ethenylpyrimidine);bis(2-tert-butyl-4-ethynylpyrimidine);bis(4-tert-butyl-2-ethynylpyrimidine);bis(4-tert-butyl-6-ethynylpyrimidine);5-tert-butyl-2-methylpyrimidine

bis(2-tert-butyl-4-ethenylpyrimidine);bis(4-tert-butyl-2-ethenylpyrimidine);bis(4-tert-butyl-6-ethenylpyrimidine);bis(2-tert-butyl-4-ethynylpyrimidine);bis(4-tert-butyl-2-ethynylpyrimidine);bis(4-tert-butyl-6-ethynylpyrimidine);5-tert-butyl-2-methylpyrimidine (PubChem CID 161389409) has the molecular formula C129H170N26 and a molecular weight of 2084.96 g/mol. Its IUPAC name is bis(2-tert-butyl-4-ethenylpyrimidine);bis(4-tert-butyl-2-ethenylpyrimidine);bis(4-tert-butyl-6-ethenylpyrimidine);bis(2-tert-butyl-4-ethynylpyrimidine);bis(4-tert-butyl-2-ethynylpyrimidine);bis(4-tert-butyl-6-ethynylpyrimidine);5-tert-butyl-2-methylpyrimidine.

Molecular Properties

Compound Namebis(2-tert-butyl-4-ethenylpyrimidine);bis(4-tert-butyl-2-ethenylpyrimidine);bis(4-tert-butyl-6-ethenylpyrimidine);bis(2-tert-butyl-4-ethynylpyrimidine);bis(4-tert-butyl-2-ethynylpyrimidine);bis(4-tert-butyl-6-ethynylpyrimidine);5-tert-butyl-2-methylpyrimidine
PubChem CID161389409
Molecular FormulaC129H170N26
Molecular Weight2084.96 g/mol
Exact Mass2083.41
IUPAC Namebis(2-tert-butyl-4-ethenylpyrimidine);bis(4-tert-butyl-2-ethenylpyrimidine);bis(4-tert-butyl-6-ethenylpyrimidine);bis(2-tert-butyl-4-ethynylpyrimidine);bis(4-tert-butyl-2-ethynylpyrimidine);bis(4-tert-butyl-6-ethynylpyrimidine);5-tert-butyl-2-methylpyrimidine
SMILESC#Cc1cc(C(C)(C)C)ncn1.C#Cc1cc(C(C)(C)C)ncn1.C#Cc1ccnc(C(C)(C)C)n1.C#Cc1ccnc(C(C)(C)C)n1.C#Cc1nccc(C(C)(C)C)n1.C#Cc1nccc(C(C)(C)C)n1.C=Cc1cc(C(C)(C)C)ncn1.C=Cc1cc(C(C)(C)C)ncn1.C=Cc1ccnc(C(C)(C)C)n1.C=Cc1ccnc(C(C)(C)C)n1.C=Cc1nccc(C(C)(C)C)n1.C=Cc1nccc(C(C)(C)C)n1.Cc1ncc(C(C)(C)C)cn1
InChIInChI=1S/2C10H14N2.2C10H12N2.2C10H14N2.2C10H12N2.2C10H14N2.2C10H12N2.C9H14N2/c4*1-5-8-6-9(10(2,3)4)12-7-11-8;4*1-5-9-11-7-6-8(12-9)10(2,3)4;4*1-5-8-6-7-11-9(12-8)10(2,3)4;1-7-10-5-8(6-11-7)9(2,3)4/h2*5-7H,1H2,2-4H3;2*1,6-7H,2-4H3;2*5-7H,1H2,2-4H3;2*1,6-7H,2-4H3;2*5-7H,1H2,2-4H3;2*1,6-7H,2-4H3;5-6H,1-4H3
InChIKeyVSUANQOGPHXGIJ-UHFFFAOYSA-N
XLogP27.12
TPSA335.14 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds6
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002084.96
LogP ≤ 527.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze bis(2-tert-butyl-4-ethenylpyrimidine);bis(4-tert-butyl-2-ethenylpyrimidine);bis(4-tert-butyl-6-ethenylpyrimidine);bis(2-tert-butyl-4-ethynylpyrimidine);bis(4-tert-butyl-2-ethynylpyrimidine);bis(4-tert-butyl-6-ethynylpyrimidine);5-tert-butyl-2-methylpyrimidine with MolForge

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Related Compounds

1-tert-butylcyclopropane-1-carbonitrile;2-tert-butyl-6-ethenylpyridine;3-tert-butyl-2-ethenylpyridine;4-tert-butyl-2-ethenylpyridine;2-tert-butyl-4-ethenylpyrimidine;4-tert-butyl-2-ethenylpyrimidine;4-tert-butyl-6-ethenylpyrimidine;2-fluoro-1-nitro-3-propan-2-ylbenzene;4-fluoro-3-propan-2-ylpyridine
CID 158185196
4,6-ditert-butyl-3-methylpyridazine;bis(3,5-ditert-butylpyridazine);2,4-ditert-butylpyrimidine;4,6-ditert-butylpyrimidine
CID 164990705
2,5-ditert-butylpyrazine;2,5-ditert-butylpyridine;2,6-ditert-butylpyridine;2,4-ditert-butylpyrimidine;2,5-ditert-butylpyrimidine;2,4-ditert-butyl-1,3,5-triazine
CID 167625438
2,7-ditert-butyl-1,5-naphthyridine
CID 171466000
4-ethenyl-6-(2-methylsulfanylpropan-2-yl)pyrimidine
CID 167202885
4-ethenyl-2-[(2-methylpropan-2-yl)oxy]pyrimidine
CID 22248165
2-tert-butyl-6-ethenylpyridine;3-tert-butyl-2-ethenylpyridine;4-tert-butyl-2-ethenylpyridine;4-tert-butyl-2-ethenylpyrimidine;N-(3,3-dimethylbutyl)-N-ethylprop-2-enamide;N-(3,3-dimethylbutyl)-N-prop-2-enylprop-2-enamide;N-(2,2-dimethylpropyl)-N-ethylprop-2-enamide;N-(2,2-dimethylpropyl)-N-prop-2-enylprop-2-enamide
CID 162251945
5-tert-butyl-2-ethynylpyridine
CID 74788346
2,7-ditert-butylquinoxaline
CID 134411063
5-(2-tert-butyl-4-ethenylpyrimidin-5-yl)-3-methyl-1,2-oxazole
CID 58550032
4-ethynyl-N-methylpyrimidin-2-amine
CID 89485713
2-tert-butyl-4-methyl-1,3,5-triazine
CID 20687906

Frequently Asked Questions

What is the IUPAC name of bis(2-tert-butyl-4-ethenylpyrimidine);bis(4-tert-butyl-2-ethenylpyrimidine);bis(4-tert-butyl-6-ethenylpyrimidine);bis(2-tert-butyl-4-ethynylpyrimidine);bis(4-tert-butyl-2-ethynylpyrimidine);bis(4-tert-butyl-6-ethynylpyrimidine);5-tert-butyl-2-methylpyrimidine?
The IUPAC name of bis(2-tert-butyl-4-ethenylpyrimidine);bis(4-tert-butyl-2-ethenylpyrimidine);bis(4-tert-butyl-6-ethenylpyrimidine);bis(2-tert-butyl-4-ethynylpyrimidine);bis(4-tert-butyl-2-ethynylpyrimidine);bis(4-tert-butyl-6-ethynylpyrimidine);5-tert-butyl-2-methylpyrimidine (CID 161389409) is bis(2-tert-butyl-4-ethenylpyrimidine);bis(4-tert-butyl-2-ethenylpyrimidine);bis(4-tert-butyl-6-ethenylpyrimidine);bis(2-tert-butyl-4-ethynylpyrimidine);bis(4-tert-butyl-2-ethynylpyrimidine);bis(4-tert-butyl-6-ethynylpyrimidine);5-tert-butyl-2-methylpyrimidine.
What is the SMILES notation for bis(2-tert-butyl-4-ethenylpyrimidine);bis(4-tert-butyl-2-ethenylpyrimidine);bis(4-tert-butyl-6-ethenylpyrimidine);bis(2-tert-butyl-4-ethynylpyrimidine);bis(4-tert-butyl-2-ethynylpyrimidine);bis(4-tert-butyl-6-ethynylpyrimidine);5-tert-butyl-2-methylpyrimidine?
The canonical SMILES for bis(2-tert-butyl-4-ethenylpyrimidine);bis(4-tert-butyl-2-ethenylpyrimidine);bis(4-tert-butyl-6-ethenylpyrimidine);bis(2-tert-butyl-4-ethynylpyrimidine);bis(4-tert-butyl-2-ethynylpyrimidine);bis(4-tert-butyl-6-ethynylpyrimidine);5-tert-butyl-2-methylpyrimidine is C#Cc1cc(C(C)(C)C)ncn1.C#Cc1cc(C(C)(C)C)ncn1.C#Cc1ccnc(C(C)(C)C)n1.C#Cc1ccnc(C(C)(C)C)n1.C#Cc1nccc(C(C)(C)C)n1.C#Cc1nccc(C(C)(C)C)n1.C=Cc1cc(C(C)(C)C)ncn1.C=Cc1cc(C(C)(C)C)ncn1.C=Cc1ccnc(C(C)(C)C)n1.C=Cc1ccnc(C(C)(C)C)n1.C=Cc1nccc(C(C)(C)C)n1.C=Cc1nccc(C(C)(C)C)n1.Cc1ncc(C(C)(C)C)cn1.
What is the InChIKey of bis(2-tert-butyl-4-ethenylpyrimidine);bis(4-tert-butyl-2-ethenylpyrimidine);bis(4-tert-butyl-6-ethenylpyrimidine);bis(2-tert-butyl-4-ethynylpyrimidine);bis(4-tert-butyl-2-ethynylpyrimidine);bis(4-tert-butyl-6-ethynylpyrimidine);5-tert-butyl-2-methylpyrimidine?
The InChIKey is VSUANQOGPHXGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H14N2.2C10H12N2.2C10H14N2.2C10H12N2.2C10H14N2.2C10H12N2.C9H14N2/c4*1-5-8-6-9(10(2,3)4)12-7-11-8;4*1-5-9-11-7-6-8(12-9)10(2,3)4;4*1-5-8-6-7-11-9(12-8)10(2,3)4;1-7-10-5-8(6-11-7)9(2,3)4/h2*5-7H,1H2,2-4H3;2*1,6-7H,2-4H3;2*5-7H,1H2,2-4H3;2*1,6-7H,2-4H3;2*5-7H,1H2,2-4H3;2*1,6-7H,2-4H3;5-6H,1-4H3.
What are the key properties of bis(2-tert-butyl-4-ethenylpyrimidine);bis(4-tert-butyl-2-ethenylpyrimidine);bis(4-tert-butyl-6-ethenylpyrimidine);bis(2-tert-butyl-4-ethynylpyrimidine);bis(4-tert-butyl-2-ethynylpyrimidine);bis(4-tert-butyl-6-ethynylpyrimidine);5-tert-butyl-2-methylpyrimidine?
bis(2-tert-butyl-4-ethenylpyrimidine);bis(4-tert-butyl-2-ethenylpyrimidine);bis(4-tert-butyl-6-ethenylpyrimidine);bis(2-tert-butyl-4-ethynylpyrimidine);bis(4-tert-butyl-2-ethynylpyrimidine);bis(4-tert-butyl-6-ethynylpyrimidine);5-tert-butyl-2-methylpyrimidine has a molecular weight of 2084.96 g/mol, XLogP of 27.12, 6 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-tert-butyl-4-ethenylpyrimidine);bis(4-tert-butyl-2-ethenylpyrimidine);bis(4-tert-butyl-6-ethenylpyrimidine);bis(2-tert-butyl-4-ethynylpyrimidine);bis(4-tert-butyl-2-ethynylpyrimidine);bis(4-tert-butyl-6-ethynylpyrimidine);5-tert-butyl-2-methylpyrimidine is sourced from PubChem (CID 161389409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).