6-(2-ethylhexoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine

C16H29N3O — CID 80989394

IUPAC6-(2-ethylhexoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCCCC(CC)COc1nc(C(C)C)nc(N)c1C
InChIInChI=1S/C16H29N3O/c1-6-8-9-13(7-2)10-20-16-12(5)14(17)18-15(19-16)11(3)4/h11,13H,6-10H2,1-5H3,(H2,17,18,19)
InChIKeyZNSUBEHQJXEOCJ-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.09
Rot. Bonds8

About 6-(2-ethylhexoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine

6-(2-ethylhexoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80989394) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 6-(2-ethylhexoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-ethylhexoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80989394
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name6-(2-ethylhexoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCCCC(CC)COc1nc(C(C)C)nc(N)c1C
InChIInChI=1S/C16H29N3O/c1-6-8-9-13(7-2)10-20-16-12(5)14(17)18-15(19-16)11(3)4/h11,13H,6-10H2,1-5H3,(H2,17,18,19)
InChIKeyZNSUBEHQJXEOCJ-UHFFFAOYSA-N
XLogP4.09
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(2-ethylhexoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2-ethylhexoxy)-2,5-dimethylpyrimidin-4-amine
CID 80861981
6-(2-ethylhexoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80966278
5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine
CID 80989543
6-(2-ethylhexoxy)-3,5-difluoropyridin-2-amine
CID 114072964
[5-(2-ethylhexoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62087264
5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-amine
CID 114471200
6-(4-ethoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80988578
5-methyl-6-(3-methylbutan-2-yloxy)-2-propan-2-ylpyrimidin-4-amine
CID 80991169
6-(2-cyclobutylethoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 114158255
4-chloro-6-(2-ethylhexoxy)-5-propan-2-ylpyrimidine
CID 63736036
5-amino-6-(2-ethylhexoxy)pyridine-2-carboxylic acid
CID 114408651
5-methyl-2-propan-2-yl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
CID 80990262

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylhexoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(2-ethylhexoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine (CID 80989394) is 6-(2-ethylhexoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-ethylhexoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(2-ethylhexoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine is CCCCC(CC)COc1nc(C(C)C)nc(N)c1C.
What is the InChIKey of 6-(2-ethylhexoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is ZNSUBEHQJXEOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-6-8-9-13(7-2)10-20-16-12(5)14(17)18-15(19-16)11(3)4/h11,13H,6-10H2,1-5H3,(H2,17,18,19).
What are the key properties of 6-(2-ethylhexoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
6-(2-ethylhexoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 279.43 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylhexoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80989394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).