N-(2-ethylhexyl)-6-propoxypyrimidin-4-amine

C15H27N3O — CID 107816415

IUPACN-(2-ethylhexyl)-6-propoxypyrimidin-4-amine
SMILESCCCCC(CC)CNc1cc(OCCC)ncn1
InChIInChI=1S/C15H27N3O/c1-4-7-8-13(6-3)11-16-14-10-15(18-12-17-14)19-9-5-2/h10,12-13H,4-9,11H2,1-3H3,(H,16,17,18)
InChIKeyZENUITZOSUBNQL-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.89
Rot. Bonds10

About N-(2-ethylhexyl)-6-propoxypyrimidin-4-amine

N-(2-ethylhexyl)-6-propoxypyrimidin-4-amine (PubChem CID 107816415) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-(2-ethylhexyl)-6-propoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-ethylhexyl)-6-propoxypyrimidin-4-amine
PubChem CID107816415
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-(2-ethylhexyl)-6-propoxypyrimidin-4-amine
SMILESCCCCC(CC)CNc1cc(OCCC)ncn1
InChIInChI=1S/C15H27N3O/c1-4-7-8-13(6-3)11-16-14-10-15(18-12-17-14)19-9-5-2/h10,12-13H,4-9,11H2,1-3H3,(H,16,17,18)
InChIKeyZENUITZOSUBNQL-UHFFFAOYSA-N
XLogP3.89
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(2R)-2-ethylhexyl]-6-N-methylpyrimidine-4,6-diamine
CID 129414271
6-ethyl-N-(2-ethylhexyl)pyrimidin-4-amine
CID 107816361
2-[[(6-propoxypyrimidin-4-yl)amino]methyl]butanoic acid
CID 66331358
3-methyl-1-N-(6-propoxypyrimidin-4-yl)butane-1,2-diamine
CID 66331778
N-(5-methylhexyl)-6-propoxypyrimidin-4-amine
CID 115326257
N-(2-chloro-2-phenylethyl)-6-propoxypyrimidin-4-amine
CID 66331181
2-N-(2-ethylhexyl)-6-propoxypyridine-2,5-diamine
CID 107819858
N',N'-dimethyl-N-(6-propoxypyrimidin-4-yl)butane-1,4-diamine
CID 66328807
3-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106115719
6-heptoxy-N-methylpyrimidin-4-amine
CID 80861487
2-N-(2-ethylhexyl)pyrazine-2,5-diamine
CID 107818873
N-pent-3-ynyl-6-propoxypyrimidin-4-amine
CID 116644597

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-6-propoxypyrimidin-4-amine?
The IUPAC name of N-(2-ethylhexyl)-6-propoxypyrimidin-4-amine (CID 107816415) is N-(2-ethylhexyl)-6-propoxypyrimidin-4-amine.
What is the SMILES notation for N-(2-ethylhexyl)-6-propoxypyrimidin-4-amine?
The canonical SMILES for N-(2-ethylhexyl)-6-propoxypyrimidin-4-amine is CCCCC(CC)CNc1cc(OCCC)ncn1.
What is the InChIKey of N-(2-ethylhexyl)-6-propoxypyrimidin-4-amine?
The InChIKey is ZENUITZOSUBNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-7-8-13(6-3)11-16-14-10-15(18-12-17-14)19-9-5-2/h10,12-13H,4-9,11H2,1-3H3,(H,16,17,18).
What are the key properties of N-(2-ethylhexyl)-6-propoxypyrimidin-4-amine?
N-(2-ethylhexyl)-6-propoxypyrimidin-4-amine has a molecular weight of 265.40 g/mol, XLogP of 3.89, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-6-propoxypyrimidin-4-amine is sourced from PubChem (CID 107816415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).