4-bromo-6-(3-ethyl-3-methylazetidin-1-yl)pyrimidine

C10H14BrN3 — CID 130847058

IUPAC4-bromo-6-(3-ethyl-3-methylazetidin-1-yl)pyrimidine
SMILESCCC1(C)CN(c2cc(Br)ncn2)C1
InChIInChI=1S/C10H14BrN3/c1-3-10(2)5-14(6-10)9-4-8(11)12-7-13-9/h4,7H,3,5-6H2,1-2H3
InChIKeyHXZCGJCTZFJHDI-UHFFFAOYSA-N
MW256.15 g/mol
LogP2.48
Rot. Bonds2

About 4-bromo-6-(3-ethyl-3-methylazetidin-1-yl)pyrimidine

4-bromo-6-(3-ethyl-3-methylazetidin-1-yl)pyrimidine (PubChem CID 130847058) has the molecular formula C10H14BrN3 and a molecular weight of 256.15 g/mol. Its IUPAC name is 4-bromo-6-(3-ethyl-3-methylazetidin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-bromo-6-(3-ethyl-3-methylazetidin-1-yl)pyrimidine
PubChem CID130847058
Molecular FormulaC10H14BrN3
Molecular Weight256.15 g/mol
Exact Mass255.04
IUPAC Name4-bromo-6-(3-ethyl-3-methylazetidin-1-yl)pyrimidine
SMILESCCC1(C)CN(c2cc(Br)ncn2)C1
InChIInChI=1S/C10H14BrN3/c1-3-10(2)5-14(6-10)9-4-8(11)12-7-13-9/h4,7H,3,5-6H2,1-2H3
InChIKeyHXZCGJCTZFJHDI-UHFFFAOYSA-N
XLogP2.48
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.15
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(chloromethyl)-2-(3-ethyl-3-methylazetidin-1-yl)pyridine
CID 131025881
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CID 107164897
4-bromo-6-pyrrol-1-ylpyrimidine
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3-methyl-1-(6-propylpyrimidin-4-yl)pyrrolidin-3-ol
CID 103357775
1-(6-ethylpyrimidin-4-yl)-3-methylpiperidin-3-ol
CID 115871308
1-methyl-4-[6-(3-methyl-3-propylpiperidin-1-yl)pyrimidin-4-yl]piperazin-2-one
CID 133491988
4-ethyl-1-(6-imidazol-1-ylpyrimidin-4-yl)-4-methylazepane
CID 91644181
4-(2,2-dimethylpropyl)-6-(4-methylpiperazin-1-yl)pyrimidine
CID 174159201
1-ethyl-4-[6-(4-ethyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-1,4-diazepane
CID 166231873
4-[4-(2-bromoethyl)piperazin-1-yl]-6-methoxypyrimidine
CID 80673097
[6-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-yl]hydrazine
CID 102746712
4-bromo-6-(4-cyclopropylpyrazol-1-yl)pyrimidine
CID 164644169

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(3-ethyl-3-methylazetidin-1-yl)pyrimidine?
The IUPAC name of 4-bromo-6-(3-ethyl-3-methylazetidin-1-yl)pyrimidine (CID 130847058) is 4-bromo-6-(3-ethyl-3-methylazetidin-1-yl)pyrimidine.
What is the SMILES notation for 4-bromo-6-(3-ethyl-3-methylazetidin-1-yl)pyrimidine?
The canonical SMILES for 4-bromo-6-(3-ethyl-3-methylazetidin-1-yl)pyrimidine is CCC1(C)CN(c2cc(Br)ncn2)C1.
What is the InChIKey of 4-bromo-6-(3-ethyl-3-methylazetidin-1-yl)pyrimidine?
The InChIKey is HXZCGJCTZFJHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3/c1-3-10(2)5-14(6-10)9-4-8(11)12-7-13-9/h4,7H,3,5-6H2,1-2H3.
What are the key properties of 4-bromo-6-(3-ethyl-3-methylazetidin-1-yl)pyrimidine?
4-bromo-6-(3-ethyl-3-methylazetidin-1-yl)pyrimidine has a molecular weight of 256.15 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(3-ethyl-3-methylazetidin-1-yl)pyrimidine is sourced from PubChem (CID 130847058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).