4-(2-fluorobutan-2-yl)-2,6-dimethylpyrimidine

C10H15FN2 — CID 86020571

IUPAC4-(2-fluorobutan-2-yl)-2,6-dimethylpyrimidine
SMILESCCC(C)(F)c1cc(C)nc(C)n1
InChIInChI=1S/C10H15FN2/c1-5-10(4,11)9-6-7(2)12-8(3)13-9/h6H,5H2,1-4H3
InChIKeyYSOKZUWUTQAZGG-UHFFFAOYSA-N
MW182.24 g/mol
LogP2.69
Rot. Bonds2

About 4-(2-fluorobutan-2-yl)-2,6-dimethylpyrimidine

4-(2-fluorobutan-2-yl)-2,6-dimethylpyrimidine (PubChem CID 86020571) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is 4-(2-fluorobutan-2-yl)-2,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-(2-fluorobutan-2-yl)-2,6-dimethylpyrimidine
PubChem CID86020571
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name4-(2-fluorobutan-2-yl)-2,6-dimethylpyrimidine
SMILESCCC(C)(F)c1cc(C)nc(C)n1
InChIInChI=1S/C10H15FN2/c1-5-10(4,11)9-6-7(2)12-8(3)13-9/h6H,5H2,1-4H3
InChIKeyYSOKZUWUTQAZGG-UHFFFAOYSA-N
XLogP2.69
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethyl-6-propylpyrimidine
CID 24975150
N-[2-(chloromethyl)-2-ethylbutyl]-2,6-dimethylpyrimidin-4-amine
CID 106252969
1-N-(2,6-dimethylpyrimidin-4-yl)-2-ethylbutane-1,2-diamine
CID 115306257
4,6-ditert-butyl-2-methylpyrimidine;ethane
CID 144567554
2-N-(2,6-dimethylpyrimidin-4-yl)-2-methylbutane-1,2-diamine
CID 64551143
2-(methoxymethyl)-4-methyl-6-(trifluoromethyl)pyrimidine
CID 59096535
N-(cyclopropylmethyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 171993956
4-(chloromethyl)-2-methyl-6-(trifluoromethyl)pyrimidine
CID 130115566
2-(2-ethyl-2-methyloctyl)-4-methyl-6-(trifluoromethyl)pyrimidine
CID 135265136
4-tert-butyl-N,N-diethyl-6-methylpyrimidin-2-amine
CID 138487090
4-tert-butyl-2-(2-chloroethyl)-6-methylpyrimidine
CID 116893734
1-N-(2,6-dimethylpyrimidin-4-yl)-2-methylpropane-1,2-diamine
CID 83619844

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorobutan-2-yl)-2,6-dimethylpyrimidine?
The IUPAC name of 4-(2-fluorobutan-2-yl)-2,6-dimethylpyrimidine (CID 86020571) is 4-(2-fluorobutan-2-yl)-2,6-dimethylpyrimidine.
What is the SMILES notation for 4-(2-fluorobutan-2-yl)-2,6-dimethylpyrimidine?
The canonical SMILES for 4-(2-fluorobutan-2-yl)-2,6-dimethylpyrimidine is CCC(C)(F)c1cc(C)nc(C)n1.
What is the InChIKey of 4-(2-fluorobutan-2-yl)-2,6-dimethylpyrimidine?
The InChIKey is YSOKZUWUTQAZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2/c1-5-10(4,11)9-6-7(2)12-8(3)13-9/h6H,5H2,1-4H3.
What are the key properties of 4-(2-fluorobutan-2-yl)-2,6-dimethylpyrimidine?
4-(2-fluorobutan-2-yl)-2,6-dimethylpyrimidine has a molecular weight of 182.24 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorobutan-2-yl)-2,6-dimethylpyrimidine is sourced from PubChem (CID 86020571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).