6-(2-ethylhexoxy)-2,5-dimethylpyrimidin-4-amine

C14H25N3O — CID 80861981

IUPAC6-(2-ethylhexoxy)-2,5-dimethylpyrimidin-4-amine
SMILESCCCCC(CC)COc1nc(C)nc(N)c1C
InChIInChI=1S/C14H25N3O/c1-5-7-8-12(6-2)9-18-14-10(3)13(15)16-11(4)17-14/h12H,5-9H2,1-4H3,(H2,15,16,17)
InChIKeyITBMAJNRUQHDSF-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.27
Rot. Bonds7

About 6-(2-ethylhexoxy)-2,5-dimethylpyrimidin-4-amine

6-(2-ethylhexoxy)-2,5-dimethylpyrimidin-4-amine (PubChem CID 80861981) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 6-(2-ethylhexoxy)-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-ethylhexoxy)-2,5-dimethylpyrimidin-4-amine
PubChem CID80861981
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name6-(2-ethylhexoxy)-2,5-dimethylpyrimidin-4-amine
SMILESCCCCC(CC)COc1nc(C)nc(N)c1C
InChIInChI=1S/C14H25N3O/c1-5-7-8-12(6-2)9-18-14-10(3)13(15)16-11(4)17-14/h12H,5-9H2,1-4H3,(H2,15,16,17)
InChIKeyITBMAJNRUQHDSF-UHFFFAOYSA-N
XLogP3.27
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-ethylhexoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80989394
6-(2-ethylhexoxy)-3,5-difluoropyridin-2-amine
CID 114072964
1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
5-amino-6-(2-ethylhexoxy)pyridine-2-carboxylic acid
CID 114408651
6-(2-ethylhexoxy)-2-propoxypyridin-3-amine
CID 43262515
3-(chloromethyl)-2-(2-ethylhexoxy)-4,6-dimethylpyridine
CID 55200147
7-(2-ethylhexyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 107817678
2-(2-ethylhexoxy)-5-methylpyridin-4-amine
CID 83265865
3-bromo-2-(2-ethylhexoxy)-5-methylpyridine
CID 105368253
3-bromo-2-(2-ethylhexoxy)-4-methylpyridine
CID 106877875
2-(2-ethylhexoxy)-6-methylpyridine-3-carboxylic acid
CID 63514366
2-(2-ethylhexoxy)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 61176560

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylhexoxy)-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(2-ethylhexoxy)-2,5-dimethylpyrimidin-4-amine (CID 80861981) is 6-(2-ethylhexoxy)-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-ethylhexoxy)-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(2-ethylhexoxy)-2,5-dimethylpyrimidin-4-amine is CCCCC(CC)COc1nc(C)nc(N)c1C.
What is the InChIKey of 6-(2-ethylhexoxy)-2,5-dimethylpyrimidin-4-amine?
The InChIKey is ITBMAJNRUQHDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-7-8-12(6-2)9-18-14-10(3)13(15)16-11(4)17-14/h12H,5-9H2,1-4H3,(H2,15,16,17).
What are the key properties of 6-(2-ethylhexoxy)-2,5-dimethylpyrimidin-4-amine?
6-(2-ethylhexoxy)-2,5-dimethylpyrimidin-4-amine has a molecular weight of 251.37 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylhexoxy)-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80861981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).