1,5-dimethyl-2,4,6-tri(propan-2-yl)pyrimidin-1-ium

C15H27N2+ — CID 158083401

IUPAC1,5-dimethyl-2,4,6-tri(propan-2-yl)pyrimidin-1-ium
SMILESCc1c(C(C)C)nc(C(C)C)[n+](C)c1C(C)C
InChIInChI=1S/C15H27N2/c1-9(2)13-12(7)14(10(3)4)17(8)15(16-13)11(5)6/h9-11H,1-8H3/q+1
InChIKeyOBNMFSJHYZVLOJ-UHFFFAOYSA-N
MW235.39 g/mol
LogP3.58
Rot. Bonds3

About 1,5-dimethyl-2,4,6-tri(propan-2-yl)pyrimidin-1-ium

1,5-dimethyl-2,4,6-tri(propan-2-yl)pyrimidin-1-ium (PubChem CID 158083401) has the molecular formula C15H27N2+ and a molecular weight of 235.39 g/mol. Its IUPAC name is 1,5-dimethyl-2,4,6-tri(propan-2-yl)pyrimidin-1-ium.

Molecular Properties

Compound Name1,5-dimethyl-2,4,6-tri(propan-2-yl)pyrimidin-1-ium
PubChem CID158083401
Molecular FormulaC15H27N2+
Molecular Weight235.39 g/mol
Exact Mass235.22
IUPAC Name1,5-dimethyl-2,4,6-tri(propan-2-yl)pyrimidin-1-ium
SMILESCc1c(C(C)C)nc(C(C)C)[n+](C)c1C(C)C
InChIInChI=1S/C15H27N2/c1-9(2)13-12(7)14(10(3)4)17(8)15(16-13)11(5)6/h9-11H,1-8H3/q+1
InChIKeyOBNMFSJHYZVLOJ-UHFFFAOYSA-N
XLogP3.58
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2,3,4,5-tetramethyl-6-propan-2-ylpyridine
CID 21340844
2,3,5-trimethyl-4,6-di(propan-2-yl)pyridine
CID 58935885
4,5-dimethyl-3-propan-2-yl-1,2,4-oxadiazol-4-ium
CID 90752708
2,5-dimethyl-4-propan-2-yl-1H-pyrimidin-6-one
CID 136692837
4-bromo-2-fluoro-5-methyl-6-propan-2-ylpyrimidine
CID 153456598
2,4-dimethyl-3,5,6-tri(propan-2-yl)pyridine
CID 58164622
2,3,5-trimethyl-6-propan-2-ylpyridine
CID 89070171
5-ethyl-1,2,3,4-tetramethyl-6-propan-2-ylpyridin-1-ium
CID 91802179
2,5-dimethyl-3,6-di(propan-2-yl)pyrazine;1,2,4,5-tetramethyl-3,6-di(propan-2-yl)benzene;bis(2,4,5-trimethyl-3,6-di(propan-2-yl)pyridine);tetrakis(yttrium)
CID 161444626
2,5-dimethyl-4-propan-2-ylpyrimidine
CID 58806234
5-methyl-2,4-di(propan-2-yl)-6-propylpyrimidine
CID 140752130
3,6-dimethyl-2-propan-2-yl-4-prop-1-ynylpyridine
CID 135165373

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2,4,6-tri(propan-2-yl)pyrimidin-1-ium?
The IUPAC name of 1,5-dimethyl-2,4,6-tri(propan-2-yl)pyrimidin-1-ium (CID 158083401) is 1,5-dimethyl-2,4,6-tri(propan-2-yl)pyrimidin-1-ium.
What is the SMILES notation for 1,5-dimethyl-2,4,6-tri(propan-2-yl)pyrimidin-1-ium?
The canonical SMILES for 1,5-dimethyl-2,4,6-tri(propan-2-yl)pyrimidin-1-ium is Cc1c(C(C)C)nc(C(C)C)[n+](C)c1C(C)C.
What is the InChIKey of 1,5-dimethyl-2,4,6-tri(propan-2-yl)pyrimidin-1-ium?
The InChIKey is OBNMFSJHYZVLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N2/c1-9(2)13-12(7)14(10(3)4)17(8)15(16-13)11(5)6/h9-11H,1-8H3/q+1.
What are the key properties of 1,5-dimethyl-2,4,6-tri(propan-2-yl)pyrimidin-1-ium?
1,5-dimethyl-2,4,6-tri(propan-2-yl)pyrimidin-1-ium has a molecular weight of 235.39 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2,4,6-tri(propan-2-yl)pyrimidin-1-ium is sourced from PubChem (CID 158083401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).