3-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-2,5-dimethylpyridine;2-tert-butyl-4,5-dimethylpyrimidine;2-tert-butyl-5-methylpyrazine;4-tert-butyl-1-methylpyrazole;4-tert-butylpyridine;6-tert-butyl-2,3,4-trimethylpyridine;methane

C69H113N11 — CID 161271962

IUPAC3-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-2,5-dimethylpyridine;2-tert-butyl-4,5-dimethylpyrimidine;2-tert-butyl-5-methylpyrazine;4-tert-butyl-1-methylpyrazole;4-tert-butylpyridine;6-tert-butyl-2,3,4-trimethylpyridine;methane
SMILESC.CC(C)(C)c1ccncc1.Cc1cc(C(C)(C)C)nc(C)c1C.Cc1cc(C(C)(C)C)nn1C.Cc1cnc(C(C)(C)C)cn1.Cc1cnc(C(C)(C)C)nc1C.Cc1cnc(C)c(C(C)(C)C)c1.Cn1cc(C(C)(C)C)cn1
InChIInChI=1S/C12H19N.C11H17N.C10H16N2.C9H16N2.C9H14N2.C9H13N.C8H14N2.CH4/c1-8-7-11(12(4,5)6)13-10(3)9(8)2;1-8-6-10(11(3,4)5)9(2)12-7-8;1-7-6-11-9(10(3,4)5)12-8(7)2;1-7-6-8(9(2,3)4)10-11(7)5;1-7-5-11-8(6-10-7)9(2,3)4;1-9(2,3)8-4-6-10-7-5-8;1-8(2,3)7-5-9-10(4)6-7;/h7H,1-6H3;6-7H,1-5H3;6H,1-5H3;6H,1-5H3;5-6H,1-4H3;4-7H,1-3H3;5-6H,1-4H3;1H4
InChIKeyVDYBAMSTCKXRLO-UHFFFAOYSA-N
MW1096.74 g/mol
LogP17.53
Rot. Bonds

About 3-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-2,5-dimethylpyridine;2-tert-butyl-4,5-dimethylpyrimidine;2-tert-butyl-5-methylpyrazine;4-tert-butyl-1-methylpyrazole;4-tert-butylpyridine;6-tert-butyl-2,3,4-trimethylpyridine;methane

3-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-2,5-dimethylpyridine;2-tert-butyl-4,5-dimethylpyrimidine;2-tert-butyl-5-methylpyrazine;4-tert-butyl-1-methylpyrazole;4-tert-butylpyridine;6-tert-butyl-2,3,4-trimethylpyridine;methane (PubChem CID 161271962) has the molecular formula C69H113N11 and a molecular weight of 1096.74 g/mol. Its IUPAC name is 3-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-2,5-dimethylpyridine;2-tert-butyl-4,5-dimethylpyrimidine;2-tert-butyl-5-methylpyrazine;4-tert-butyl-1-methylpyrazole;4-tert-butylpyridine;6-tert-butyl-2,3,4-trimethylpyridine;methane.

Molecular Properties

Compound Name3-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-2,5-dimethylpyridine;2-tert-butyl-4,5-dimethylpyrimidine;2-tert-butyl-5-methylpyrazine;4-tert-butyl-1-methylpyrazole;4-tert-butylpyridine;6-tert-butyl-2,3,4-trimethylpyridine;methane
PubChem CID161271962
Molecular FormulaC69H113N11
Molecular Weight1096.74 g/mol
Exact Mass1095.92
IUPAC Name3-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-2,5-dimethylpyridine;2-tert-butyl-4,5-dimethylpyrimidine;2-tert-butyl-5-methylpyrazine;4-tert-butyl-1-methylpyrazole;4-tert-butylpyridine;6-tert-butyl-2,3,4-trimethylpyridine;methane
SMILESC.CC(C)(C)c1ccncc1.Cc1cc(C(C)(C)C)nc(C)c1C.Cc1cc(C(C)(C)C)nn1C.Cc1cnc(C(C)(C)C)cn1.Cc1cnc(C(C)(C)C)nc1C.Cc1cnc(C)c(C(C)(C)C)c1.Cn1cc(C(C)(C)C)cn1
InChIInChI=1S/C12H19N.C11H17N.C10H16N2.C9H16N2.C9H14N2.C9H13N.C8H14N2.CH4/c1-8-7-11(12(4,5)6)13-10(3)9(8)2;1-8-6-10(11(3,4)5)9(2)12-7-8;1-7-6-11-9(10(3,4)5)12-8(7)2;1-7-6-8(9(2,3)4)10-11(7)5;1-7-5-11-8(6-10-7)9(2,3)4;1-9(2,3)8-4-6-10-7-5-8;1-8(2,3)7-5-9-10(4)6-7;/h7H,1-6H3;6-7H,1-5H3;6H,1-5H3;6H,1-5H3;5-6H,1-4H3;4-7H,1-3H3;5-6H,1-4H3;1H4
InChIKeyVDYBAMSTCKXRLO-UHFFFAOYSA-N
XLogP17.53
TPSA125.87 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001096.74
LogP ≤ 517.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 3-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-2,5-dimethylpyridine;2-tert-butyl-4,5-dimethylpyrimidine;2-tert-butyl-5-methylpyrazine;4-tert-butyl-1-methylpyrazole;4-tert-butylpyridine;6-tert-butyl-2,3,4-trimethylpyridine;methane with MolForge

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Launch Full Analysis

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-2,5-dimethylpyridine;2-tert-butyl-4,5-dimethylpyrimidine;2-tert-butyl-5-methylpyrazine;4-tert-butyl-1-methylpyrazole;4-tert-butylpyridine;6-tert-butyl-2,3,4-trimethylpyridine;methane?
The IUPAC name of 3-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-2,5-dimethylpyridine;2-tert-butyl-4,5-dimethylpyrimidine;2-tert-butyl-5-methylpyrazine;4-tert-butyl-1-methylpyrazole;4-tert-butylpyridine;6-tert-butyl-2,3,4-trimethylpyridine;methane (CID 161271962) is 3-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-2,5-dimethylpyridine;2-tert-butyl-4,5-dimethylpyrimidine;2-tert-butyl-5-methylpyrazine;4-tert-butyl-1-methylpyrazole;4-tert-butylpyridine;6-tert-butyl-2,3,4-trimethylpyridine;methane.
What is the SMILES notation for 3-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-2,5-dimethylpyridine;2-tert-butyl-4,5-dimethylpyrimidine;2-tert-butyl-5-methylpyrazine;4-tert-butyl-1-methylpyrazole;4-tert-butylpyridine;6-tert-butyl-2,3,4-trimethylpyridine;methane?
The canonical SMILES for 3-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-2,5-dimethylpyridine;2-tert-butyl-4,5-dimethylpyrimidine;2-tert-butyl-5-methylpyrazine;4-tert-butyl-1-methylpyrazole;4-tert-butylpyridine;6-tert-butyl-2,3,4-trimethylpyridine;methane is C.CC(C)(C)c1ccncc1.Cc1cc(C(C)(C)C)nc(C)c1C.Cc1cc(C(C)(C)C)nn1C.Cc1cnc(C(C)(C)C)cn1.Cc1cnc(C(C)(C)C)nc1C.Cc1cnc(C)c(C(C)(C)C)c1.Cn1cc(C(C)(C)C)cn1.
What is the InChIKey of 3-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-2,5-dimethylpyridine;2-tert-butyl-4,5-dimethylpyrimidine;2-tert-butyl-5-methylpyrazine;4-tert-butyl-1-methylpyrazole;4-tert-butylpyridine;6-tert-butyl-2,3,4-trimethylpyridine;methane?
The InChIKey is VDYBAMSTCKXRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N.C11H17N.C10H16N2.C9H16N2.C9H14N2.C9H13N.C8H14N2.CH4/c1-8-7-11(12(4,5)6)13-10(3)9(8)2;1-8-6-10(11(3,4)5)9(2)12-7-8;1-7-6-11-9(10(3,4)5)12-8(7)2;1-7-6-8(9(2,3)4)10-11(7)5;1-7-5-11-8(6-10-7)9(2,3)4;1-9(2,3)8-4-6-10-7-5-8;1-8(2,3)7-5-9-10(4)6-7;/h7H,1-6H3;6-7H,1-5H3;6H,1-5H3;6H,1-5H3;5-6H,1-4H3;4-7H,1-3H3;5-6H,1-4H3;1H4.
What are the key properties of 3-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-2,5-dimethylpyridine;2-tert-butyl-4,5-dimethylpyrimidine;2-tert-butyl-5-methylpyrazine;4-tert-butyl-1-methylpyrazole;4-tert-butylpyridine;6-tert-butyl-2,3,4-trimethylpyridine;methane?
3-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-2,5-dimethylpyridine;2-tert-butyl-4,5-dimethylpyrimidine;2-tert-butyl-5-methylpyrazine;4-tert-butyl-1-methylpyrazole;4-tert-butylpyridine;6-tert-butyl-2,3,4-trimethylpyridine;methane has a molecular weight of 1096.74 g/mol, XLogP of 17.53, 0 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-2,5-dimethylpyridine;2-tert-butyl-4,5-dimethylpyrimidine;2-tert-butyl-5-methylpyrazine;4-tert-butyl-1-methylpyrazole;4-tert-butylpyridine;6-tert-butyl-2,3,4-trimethylpyridine;methane is sourced from PubChem (CID 161271962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).