6-bromo-2-N-(2-ethylhexyl)pyrimidine-2,4-diamine

C12H21BrN4 — CID 114004473

IUPAC6-bromo-2-N-(2-ethylhexyl)pyrimidine-2,4-diamine
SMILESCCCCC(CC)CNc1nc(N)cc(Br)n1
InChIInChI=1S/C12H21BrN4/c1-3-5-6-9(4-2)8-15-12-16-10(13)7-11(14)17-12/h7,9H,3-6,8H2,1-2H3,(H3,14,15,16,17)
InChIKeyUZNKYUXKBXVFMP-UHFFFAOYSA-N
MW301.23 g/mol
LogP3.45
Rot. Bonds7

About 6-bromo-2-N-(2-ethylhexyl)pyrimidine-2,4-diamine

6-bromo-2-N-(2-ethylhexyl)pyrimidine-2,4-diamine (PubChem CID 114004473) has the molecular formula C12H21BrN4 and a molecular weight of 301.23 g/mol. Its IUPAC name is 6-bromo-2-N-(2-ethylhexyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-bromo-2-N-(2-ethylhexyl)pyrimidine-2,4-diamine
PubChem CID114004473
Molecular FormulaC12H21BrN4
Molecular Weight301.23 g/mol
Exact Mass300.09
IUPAC Name6-bromo-2-N-(2-ethylhexyl)pyrimidine-2,4-diamine
SMILESCCCCC(CC)CNc1nc(N)cc(Br)n1
InChIInChI=1S/C12H21BrN4/c1-3-5-6-9(4-2)8-15-12-16-10(13)7-11(14)17-12/h7,9H,3-6,8H2,1-2H3,(H3,14,15,16,17)
InChIKeyUZNKYUXKBXVFMP-UHFFFAOYSA-N
XLogP3.45
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-amino-6-bromopyrimidin-2-yl)amino]propan-2-ol
CID 116795491
6-bromo-2-N-(2-ethoxypropyl)pyrimidine-2,4-diamine
CID 116797393
N-(2-ethylhexyl)-4-methoxy-6-methylpyrimidin-2-amine
CID 107816517
6-bromo-2-N-(3-butoxypropyl)pyrimidine-2,4-diamine
CID 116797411
5-N-(2-ethylhexyl)-1,2-thiazole-3,5-diamine
CID 107819500
2-N-(2-ethylhexyl)pyrazine-2,5-diamine
CID 107818873
4-[(4-amino-6-bromopyrimidin-2-yl)amino]butan-2-ol
CID 116796030
6-bromo-2-N-(2-phenylpropyl)pyrimidine-2,4-diamine
CID 116797337
4-bromo-1-N-(2-ethylhexyl)benzene-1,2-diamine
CID 107819769
4-bromo-2-N-(2-ethylhexyl)benzene-1,2-diamine
CID 114004564
N-(2-ethylhexyl)-5-methylpyrimidin-2-amine
CID 107816474
4-N-(2-ethylhexyl)-2-methylbenzene-1,4-diamine
CID 107819815

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-N-(2-ethylhexyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-bromo-2-N-(2-ethylhexyl)pyrimidine-2,4-diamine (CID 114004473) is 6-bromo-2-N-(2-ethylhexyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-bromo-2-N-(2-ethylhexyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-bromo-2-N-(2-ethylhexyl)pyrimidine-2,4-diamine is CCCCC(CC)CNc1nc(N)cc(Br)n1.
What is the InChIKey of 6-bromo-2-N-(2-ethylhexyl)pyrimidine-2,4-diamine?
The InChIKey is UZNKYUXKBXVFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN4/c1-3-5-6-9(4-2)8-15-12-16-10(13)7-11(14)17-12/h7,9H,3-6,8H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 6-bromo-2-N-(2-ethylhexyl)pyrimidine-2,4-diamine?
6-bromo-2-N-(2-ethylhexyl)pyrimidine-2,4-diamine has a molecular weight of 301.23 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-N-(2-ethylhexyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114004473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).