lithium;2-tert-butylpyrimidine;bromide

C8H12BrLiN2 — CID 160712355

IUPAClithium;2-tert-butylpyrimidine;bromide
SMILESCC(C)(C)c1ncccn1.[Br-].[Li+]
InChIInChI=1S/C8H12N2.BrH.Li/c1-8(2,3)7-9-5-4-6-10-7;;/h4-6H,1-3H3;1H;/q;;+1/p-1
InChIKeyRSAIZMIUSLFDJC-UHFFFAOYSA-M
MW223.04 g/mol
LogP-4.22
Rot. Bonds

About lithium;2-tert-butylpyrimidine;bromide

lithium;2-tert-butylpyrimidine;bromide (PubChem CID 160712355) has the molecular formula C8H12BrLiN2 and a molecular weight of 223.04 g/mol. Its IUPAC name is lithium;2-tert-butylpyrimidine;bromide.

Molecular Properties

Compound Namelithium;2-tert-butylpyrimidine;bromide
PubChem CID160712355
Molecular FormulaC8H12BrLiN2
Molecular Weight223.04 g/mol
Exact Mass222.03
IUPAC Namelithium;2-tert-butylpyrimidine;bromide
SMILESCC(C)(C)c1ncccn1.[Br-].[Li+]
InChIInChI=1S/C8H12N2.BrH.Li/c1-8(2,3)7-9-5-4-6-10-7;;/h4-6H,1-3H3;1H;/q;;+1/p-1
InChIKeyRSAIZMIUSLFDJC-UHFFFAOYSA-M
XLogP-4.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.04
LogP ≤ 5-4.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-tert-butyl-5-methylpyrimidine
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2-tert-butyl-5-fluoropyrimidine
CID 22958265
2-methyl-2-pyrimidin-2-ylpropanamide
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2-tert-butyl-5-fluoro-4-(2-methyl-2-pyrimidin-2-ylpropyl)pyrimidine
CID 155140139
(2-tert-butylpyrimidin-4-yl)-imino-methyl-oxo-λ6-sulfane
CID 153306316
(2-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane
CID 153306286
(2-tert-butylpyrimidin-5-yl)methanethiol
CID 155186184
2-tert-butylpyridine;ethane;methane
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(3-tert-butyl-2-pyridinyl)boronic acid
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Frequently Asked Questions

What is the IUPAC name of lithium;2-tert-butylpyrimidine;bromide?
The IUPAC name of lithium;2-tert-butylpyrimidine;bromide (CID 160712355) is lithium;2-tert-butylpyrimidine;bromide.
What is the SMILES notation for lithium;2-tert-butylpyrimidine;bromide?
The canonical SMILES for lithium;2-tert-butylpyrimidine;bromide is CC(C)(C)c1ncccn1.[Br-].[Li+].
What is the InChIKey of lithium;2-tert-butylpyrimidine;bromide?
The InChIKey is RSAIZMIUSLFDJC-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H12N2.BrH.Li/c1-8(2,3)7-9-5-4-6-10-7;;/h4-6H,1-3H3;1H;/q;;+1/p-1.
What are the key properties of lithium;2-tert-butylpyrimidine;bromide?
lithium;2-tert-butylpyrimidine;bromide has a molecular weight of 223.04 g/mol, XLogP of -4.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-tert-butylpyrimidine;bromide is sourced from PubChem (CID 160712355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).