2-tert-butyl-5-methylpyrazine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-2-methylpyrimidine;2-tert-butylpyrazine;2,2-dimethylpropan-1-ol;methane;1-methoxy-2,2-dimethylpropane

C47H84N8O2 — CID 159464684

IUPAC2-tert-butyl-5-methylpyrazine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-2-methylpyrimidine;2-tert-butylpyrazine;2,2-dimethylpropan-1-ol;methane;1-methoxy-2,2-dimethylpropane
SMILESC.CC(C)(C)CO.CC(C)(C)c1cnccn1.COCC(C)(C)C.Cc1cnc(C(C)(C)C)cn1.Cc1cnc(C(C)(C)C)nc1.Cc1ncc(C(C)(C)C)cn1
InChIInChI=1S/3C9H14N2.C8H12N2.C6H14O.C5H12O.CH4/c1-7-10-5-8(6-11-7)9(2,3)4;1-7-5-11-8(6-10-7)9(2,3)4;1-7-5-10-8(11-6-7)9(2,3)4;1-8(2,3)7-6-9-4-5-10-7;1-6(2,3)5-7-4;1-5(2,3)4-6;/h3*5-6H,1-4H3;4-6H,1-3H3;5H2,1-4H3;6H,4H2,1-3H3;1H4
InChIKeyLVALHUZOAKOOSI-UHFFFAOYSA-N
MW793.24 g/mol
LogP11.36
Rot. Bonds1

About 2-tert-butyl-5-methylpyrazine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-2-methylpyrimidine;2-tert-butylpyrazine;2,2-dimethylpropan-1-ol;methane;1-methoxy-2,2-dimethylpropane

2-tert-butyl-5-methylpyrazine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-2-methylpyrimidine;2-tert-butylpyrazine;2,2-dimethylpropan-1-ol;methane;1-methoxy-2,2-dimethylpropane (PubChem CID 159464684) has the molecular formula C47H84N8O2 and a molecular weight of 793.24 g/mol. Its IUPAC name is 2-tert-butyl-5-methylpyrazine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-2-methylpyrimidine;2-tert-butylpyrazine;2,2-dimethylpropan-1-ol;methane;1-methoxy-2,2-dimethylpropane.

Molecular Properties

Compound Name2-tert-butyl-5-methylpyrazine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-2-methylpyrimidine;2-tert-butylpyrazine;2,2-dimethylpropan-1-ol;methane;1-methoxy-2,2-dimethylpropane
PubChem CID159464684
Molecular FormulaC47H84N8O2
Molecular Weight793.24 g/mol
Exact Mass792.67
IUPAC Name2-tert-butyl-5-methylpyrazine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-2-methylpyrimidine;2-tert-butylpyrazine;2,2-dimethylpropan-1-ol;methane;1-methoxy-2,2-dimethylpropane
SMILESC.CC(C)(C)CO.CC(C)(C)c1cnccn1.COCC(C)(C)C.Cc1cnc(C(C)(C)C)cn1.Cc1cnc(C(C)(C)C)nc1.Cc1ncc(C(C)(C)C)cn1
InChIInChI=1S/3C9H14N2.C8H12N2.C6H14O.C5H12O.CH4/c1-7-10-5-8(6-11-7)9(2,3)4;1-7-5-11-8(6-10-7)9(2,3)4;1-7-5-10-8(11-6-7)9(2,3)4;1-8(2,3)7-6-9-4-5-10-7;1-6(2,3)5-7-4;1-5(2,3)4-6;/h3*5-6H,1-4H3;4-6H,1-3H3;5H2,1-4H3;6H,4H2,1-3H3;1H4
InChIKeyLVALHUZOAKOOSI-UHFFFAOYSA-N
XLogP11.36
TPSA132.58 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds1
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.24
LogP ≤ 511.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-tert-butyl-5-methylpyrazine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-2-methylpyrimidine;2-tert-butylpyrazine;2,2-dimethylpropan-1-ol;methane;1-methoxy-2,2-dimethylpropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methoxy-2-pyrazin-2-ylpropan-2-ol
CID 63967745
2-tert-butylpyrazine;2-tert-butylpyrimidine;5-tert-butylpyrimidine
CID 158708538
2-tert-butyl-5-methylpyrimidine
CID 160929079
(2R)-2-amino-2-pyrazin-2-ylpropan-1-ol
CID 55292207
5-tert-butyl-2-(2-methyl-2-pyrazin-2-ylpropyl)pyrimidine
CID 135257444
tert-butylbenzene;2-tert-butylpyrazine;bis(2-tert-butylpyridine);3-tert-butylpyridine;bis(2-tert-butylpyrimidine);5-tert-butylpyrimidine;methane
CID 159202689
3,3-dimethyl-2-pyrazin-2-ylbutan-2-ol
CID 115401177
2-[(2S)-2-methoxybutan-2-yl]pyrazine
CID 97049922
ethyl 2-methyl-2-pyrazin-2-ylpropanoate
CID 63967744
methyl 4-amino-3-methyl-3-pyrazin-2-ylbutanoate
CID 66099125
tert-butylbenzene;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;2-tert-butylpyrimidine;ethane
CID 164964212
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

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methylpyrazine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-2-methylpyrimidine;2-tert-butylpyrazine;2,2-dimethylpropan-1-ol;methane;1-methoxy-2,2-dimethylpropane?
The IUPAC name of 2-tert-butyl-5-methylpyrazine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-2-methylpyrimidine;2-tert-butylpyrazine;2,2-dimethylpropan-1-ol;methane;1-methoxy-2,2-dimethylpropane (CID 159464684) is 2-tert-butyl-5-methylpyrazine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-2-methylpyrimidine;2-tert-butylpyrazine;2,2-dimethylpropan-1-ol;methane;1-methoxy-2,2-dimethylpropane.
What is the SMILES notation for 2-tert-butyl-5-methylpyrazine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-2-methylpyrimidine;2-tert-butylpyrazine;2,2-dimethylpropan-1-ol;methane;1-methoxy-2,2-dimethylpropane?
The canonical SMILES for 2-tert-butyl-5-methylpyrazine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-2-methylpyrimidine;2-tert-butylpyrazine;2,2-dimethylpropan-1-ol;methane;1-methoxy-2,2-dimethylpropane is C.CC(C)(C)CO.CC(C)(C)c1cnccn1.COCC(C)(C)C.Cc1cnc(C(C)(C)C)cn1.Cc1cnc(C(C)(C)C)nc1.Cc1ncc(C(C)(C)C)cn1.
What is the InChIKey of 2-tert-butyl-5-methylpyrazine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-2-methylpyrimidine;2-tert-butylpyrazine;2,2-dimethylpropan-1-ol;methane;1-methoxy-2,2-dimethylpropane?
The InChIKey is LVALHUZOAKOOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H14N2.C8H12N2.C6H14O.C5H12O.CH4/c1-7-10-5-8(6-11-7)9(2,3)4;1-7-5-11-8(6-10-7)9(2,3)4;1-7-5-10-8(11-6-7)9(2,3)4;1-8(2,3)7-6-9-4-5-10-7;1-6(2,3)5-7-4;1-5(2,3)4-6;/h3*5-6H,1-4H3;4-6H,1-3H3;5H2,1-4H3;6H,4H2,1-3H3;1H4.
What are the key properties of 2-tert-butyl-5-methylpyrazine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-2-methylpyrimidine;2-tert-butylpyrazine;2,2-dimethylpropan-1-ol;methane;1-methoxy-2,2-dimethylpropane?
2-tert-butyl-5-methylpyrazine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-2-methylpyrimidine;2-tert-butylpyrazine;2,2-dimethylpropan-1-ol;methane;1-methoxy-2,2-dimethylpropane has a molecular weight of 793.24 g/mol, XLogP of 11.36, 1 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methylpyrazine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-2-methylpyrimidine;2-tert-butylpyrazine;2,2-dimethylpropan-1-ol;methane;1-methoxy-2,2-dimethylpropane is sourced from PubChem (CID 159464684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).