5-bromo-N-(2-ethylhexyl)pyrimidin-4-amine

C12H20BrN3 — CID 107816515

IUPAC5-bromo-N-(2-ethylhexyl)pyrimidin-4-amine
SMILESCCCCC(CC)CNc1ncncc1Br
InChIInChI=1S/C12H20BrN3/c1-3-5-6-10(4-2)7-15-12-11(13)8-14-9-16-12/h8-10H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyWMQICQMNBQKYPF-UHFFFAOYSA-N
MW286.22 g/mol
LogP3.87
Rot. Bonds7

About 5-bromo-N-(2-ethylhexyl)pyrimidin-4-amine

5-bromo-N-(2-ethylhexyl)pyrimidin-4-amine (PubChem CID 107816515) has the molecular formula C12H20BrN3 and a molecular weight of 286.22 g/mol. Its IUPAC name is 5-bromo-N-(2-ethylhexyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-(2-ethylhexyl)pyrimidin-4-amine
PubChem CID107816515
Molecular FormulaC12H20BrN3
Molecular Weight286.22 g/mol
Exact Mass285.08
IUPAC Name5-bromo-N-(2-ethylhexyl)pyrimidin-4-amine
SMILESCCCCC(CC)CNc1ncncc1Br
InChIInChI=1S/C12H20BrN3/c1-3-5-6-10(4-2)7-15-12-11(13)8-14-9-16-12/h8-10H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyWMQICQMNBQKYPF-UHFFFAOYSA-N
XLogP3.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-N-(2-ethylhexyl)pyrimidine-4,6-diamine
CID 114072894
5-bromo-N-(2,3-dimethylbutyl)pyrimidin-4-amine
CID 66341943
6-chloro-N-(2-ethylhexyl)-5-methoxypyrimidin-4-amine
CID 107817622
N-(2-ethylhexyl)-5-methylpyrimidin-2-amine
CID 107816474
5-bromo-N-(2-methylsulfinylpropyl)pyrimidin-4-amine
CID 115764259
2-N-(2-ethylhexyl)-3-methylpyridine-2,5-diamine
CID 107819841
4-N-(2-ethylhexyl)quinazoline-4,7-diamine
CID 107819800
2-N-(2-ethylhexyl)-6-N-methylpyrazine-2,6-diamine
CID 114004493
2-N-(2-ethylhexyl)pyrazine-2,5-diamine
CID 107818873
5-chloro-6-ethyl-N-(2-ethylnonyl)pyrimidin-4-amine
CID 67669579
N-(5-bromopyrimidin-4-yl)-N'-butan-2-yl-N'-methylethane-1,2-diamine
CID 103779960
5-chloro-N-(2-ethylhexyl)-2-methoxypyrimidin-4-amine
CID 107816615

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-ethylhexyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-(2-ethylhexyl)pyrimidin-4-amine (CID 107816515) is 5-bromo-N-(2-ethylhexyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-(2-ethylhexyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-(2-ethylhexyl)pyrimidin-4-amine is CCCCC(CC)CNc1ncncc1Br.
What is the InChIKey of 5-bromo-N-(2-ethylhexyl)pyrimidin-4-amine?
The InChIKey is WMQICQMNBQKYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3/c1-3-5-6-10(4-2)7-15-12-11(13)8-14-9-16-12/h8-10H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of 5-bromo-N-(2-ethylhexyl)pyrimidin-4-amine?
5-bromo-N-(2-ethylhexyl)pyrimidin-4-amine has a molecular weight of 286.22 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-ethylhexyl)pyrimidin-4-amine is sourced from PubChem (CID 107816515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).