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

C73H121N11 — CID 167625438

IUPAC2,5-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
SMILESCC(C)(C)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1cccc(C(C)(C)C)n1.CC(C)(C)c1ccnc(C(C)(C)C)n1.CC(C)(C)c1cnc(C(C)(C)C)cn1.CC(C)(C)c1cnc(C(C)(C)C)nc1.CC(C)(C)c1ncnc(C(C)(C)C)n1
InChIInChI=1S/2C13H21N.3C12H20N2.C11H19N3/c1-12(2,3)10-7-8-11(14-9-10)13(4,5)6;1-12(2,3)10-8-7-9-11(14-10)13(4,5)6;1-11(2,3)9-7-14-10(8-13-9)12(4,5)6;1-11(2,3)9-7-13-10(14-8-9)12(4,5)6;1-11(2,3)9-7-8-13-10(14-9)12(4,5)6;1-10(2,3)8-12-7-13-9(14-8)11(4,5)6/h2*7-9H,1-6H3;3*7-8H,1-6H3;7H,1-6H3
InChIKeyNANMSELMSVLACZ-UHFFFAOYSA-N
MW1152.85 g/mol
LogP19.03
Rot. Bonds

About 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

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 (PubChem CID 167625438) has the molecular formula C73H121N11 and a molecular weight of 1152.85 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,5-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
PubChem CID167625438
Molecular FormulaC73H121N11
Molecular Weight1152.85 g/mol
Exact Mass1151.98
IUPAC Name2,5-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
SMILESCC(C)(C)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1cccc(C(C)(C)C)n1.CC(C)(C)c1ccnc(C(C)(C)C)n1.CC(C)(C)c1cnc(C(C)(C)C)cn1.CC(C)(C)c1cnc(C(C)(C)C)nc1.CC(C)(C)c1ncnc(C(C)(C)C)n1
InChIInChI=1S/2C13H21N.3C12H20N2.C11H19N3/c1-12(2,3)10-7-8-11(14-9-10)13(4,5)6;1-12(2,3)10-8-7-9-11(14-10)13(4,5)6;1-11(2,3)9-7-14-10(8-13-9)12(4,5)6;1-11(2,3)9-7-13-10(14-8-9)12(4,5)6;1-11(2,3)9-7-8-13-10(14-9)12(4,5)6;1-10(2,3)8-12-7-13-9(14-8)11(4,5)6/h2*7-9H,1-6H3;3*7-8H,1-6H3;7H,1-6H3
InChIKeyNANMSELMSVLACZ-UHFFFAOYSA-N
XLogP19.03
TPSA141.79 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001152.85
LogP ≤ 519.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

2,5-ditert-butylpyridine;propane
CID 158805083
2-tert-butyl-5-propan-2-ylpyrazine;3-tert-butyl-6-propan-2-ylpyridazine;2-tert-butyl-5-propan-2-ylpyridine;2-tert-butyl-5-propan-2-ylpyrimidine;3-tert-butyl-6-propan-2-yl-1,2,4-triazine;3,5-ditert-butylpyridazine;2,4-ditert-butylpyridine;2,4-ditert-butylpyrimidine;4,6-ditert-butylpyrimidine;2,4-ditert-butyl-1,3,5-triazine;3,5-ditert-butyl-1,2,4-triazine;2,6-dimethylpyridine
CID 162151116
tert-butylbenzene;2-tert-butylpyrazine;bis(2-tert-butylpyridine);3-tert-butylpyridine;bis(2-tert-butylpyrimidine);5-tert-butylpyrimidine;methane
CID 159202689
2-tert-butylpyrazine;2-tert-butylpyrimidine;5-tert-butylpyrimidine
CID 158708538
2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1,3,5-triazine;methane
CID 162129146
4,6-ditert-butyl-3-methylpyridazine;bis(3,5-ditert-butylpyridazine);2,4-ditert-butylpyrimidine;4,6-ditert-butylpyrimidine
CID 164990705
1-tert-butyl-4-phenylbenzene;1,4-ditert-butylbenzene;2,5-ditert-butylpyridine;2,2-dimethylpropane;methane
CID 159449755
2-tert-butyl-5-methoxypyrazine;3-tert-butyl-6-methoxypyridazine;2-tert-butyl-5-methoxypyridine;bis(5-tert-butyl-2-methoxypyridine);2-tert-butyl-5-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;ethane
CID 159072938
2-(6-tert-butyl-2-pyridinyl)pyrimidine
CID 166590913
tert-butylbenzene;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;2-tert-butylpyrimidine;ethane
CID 164964212
2-tert-butyl-6-(2-iodopropan-2-yl)pyridine
CID 137391001
2-(2-phenylpropan-2-yl)-4-(2-pyridin-2-ylpropan-2-yl)-1,3,5-triazine
CID 142355793

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1cccc(C(C)(C)C)n1.CC(C)(C)c1ccnc(C(C)(C)C)n1.CC(C)(C)c1cnc(C(C)(C)C)cn1.CC(C)(C)c1cnc(C(C)(C)C)nc1.CC(C)(C)c1ncnc(C(C)(C)C)n1.
What is the InChIKey of 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?
The InChIKey is NANMSELMSVLACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H21N.3C12H20N2.C11H19N3/c1-12(2,3)10-7-8-11(14-9-10)13(4,5)6;1-12(2,3)10-8-7-9-11(14-10)13(4,5)6;1-11(2,3)9-7-14-10(8-13-9)12(4,5)6;1-11(2,3)9-7-13-10(14-8-9)12(4,5)6;1-11(2,3)9-7-8-13-10(14-9)12(4,5)6;1-10(2,3)8-12-7-13-9(14-8)11(4,5)6/h2*7-9H,1-6H3;3*7-8H,1-6H3;7H,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 1152.85 g/mol, XLogP of 19.03, 0 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167625438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).