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

C14H25N3O — CID 80861413

IUPAC4-(2-ethylhexoxy)-N,6-dimethylpyrimidin-2-amine
SMILESCCCCC(CC)COc1cc(C)nc(NC)n1
InChIInChI=1S/C14H25N3O/c1-5-7-8-12(6-2)10-18-13-9-11(3)16-14(15-4)17-13/h9,12H,5-8,10H2,1-4H3,(H,15,16,17)
InChIKeyHFSRQYHDHHCOGL-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.42
Rot. Bonds8

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

4-(2-ethylhexoxy)-N,6-dimethylpyrimidin-2-amine (PubChem CID 80861413) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-(2-ethylhexoxy)-N,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-ethylhexoxy)-N,6-dimethylpyrimidin-2-amine
PubChem CID80861413
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name4-(2-ethylhexoxy)-N,6-dimethylpyrimidin-2-amine
SMILESCCCCC(CC)COc1cc(C)nc(NC)n1
InChIInChI=1S/C14H25N3O/c1-5-7-8-12(6-2)10-18-13-9-11(3)16-14(15-4)17-13/h9,12H,5-8,10H2,1-4H3,(H,15,16,17)
InChIKeyHFSRQYHDHHCOGL-UHFFFAOYSA-N
XLogP3.42
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-hexoxy-N,6-dimethylpyrimidin-2-amine
CID 80862000
N,4-dimethyl-6-(2-methylpropoxy)pyrimidin-2-amine
CID 80860281
6-(2-ethylhexoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773634
N-(2-ethylhexyl)-4-methoxy-6-methylpyrimidin-2-amine
CID 107816517
4-chloro-6-(2-ethylhexoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80861510
3-(chloromethyl)-2-(2-ethylhexoxy)-4,6-dimethylpyridine
CID 55200147
6-(2-ethylhexoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80966278
2-(2-ethylhexoxy)-5-methylpyridin-4-amine
CID 83265865
[4-(2-ethylhexoxy)-2,6-dimethyl-3-pyridinyl]methanamine
CID 81050477
4-[2-(dimethylamino)ethoxy]-N,6-dimethylpyrimidin-2-amine
CID 80870972
4-(2-ethylhexoxy)-N-methylaniline
CID 63423828
N-ethyl-4-hexoxy-6-methylpyrimidin-2-amine
CID 80861146

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylhexoxy)-N,6-dimethylpyrimidin-2-amine?
The IUPAC name of 4-(2-ethylhexoxy)-N,6-dimethylpyrimidin-2-amine (CID 80861413) is 4-(2-ethylhexoxy)-N,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-ethylhexoxy)-N,6-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-(2-ethylhexoxy)-N,6-dimethylpyrimidin-2-amine is CCCCC(CC)COc1cc(C)nc(NC)n1.
What is the InChIKey of 4-(2-ethylhexoxy)-N,6-dimethylpyrimidin-2-amine?
The InChIKey is HFSRQYHDHHCOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-7-8-12(6-2)10-18-13-9-11(3)16-14(15-4)17-13/h9,12H,5-8,10H2,1-4H3,(H,15,16,17).
What are the key properties of 4-(2-ethylhexoxy)-N,6-dimethylpyrimidin-2-amine?
4-(2-ethylhexoxy)-N,6-dimethylpyrimidin-2-amine has a molecular weight of 251.37 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylhexoxy)-N,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 80861413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).