6-[2-(diethylamino)ethoxy]-N,5-dimethylpyrimidin-4-amine

C12H22N4O — CID 80871416

IUPAC6-[2-(diethylamino)ethoxy]-N,5-dimethylpyrimidin-4-amine
SMILESCCN(CC)CCOc1ncnc(NC)c1C
InChIInChI=1S/C12H22N4O/c1-5-16(6-2)7-8-17-12-10(3)11(13-4)14-9-15-12/h9H,5-8H2,1-4H3,(H,13,14,15)
InChIKeyZUMUOJXPSRANSE-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.55
Rot. Bonds7

About 6-[2-(diethylamino)ethoxy]-N,5-dimethylpyrimidin-4-amine

6-[2-(diethylamino)ethoxy]-N,5-dimethylpyrimidin-4-amine (PubChem CID 80871416) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 6-[2-(diethylamino)ethoxy]-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-(diethylamino)ethoxy]-N,5-dimethylpyrimidin-4-amine
PubChem CID80871416
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name6-[2-(diethylamino)ethoxy]-N,5-dimethylpyrimidin-4-amine
SMILESCCN(CC)CCOc1ncnc(NC)c1C
InChIInChI=1S/C12H22N4O/c1-5-16(6-2)7-8-17-12-10(3)11(13-4)14-9-15-12/h9H,5-8H2,1-4H3,(H,13,14,15)
InChIKeyZUMUOJXPSRANSE-UHFFFAOYSA-N
XLogP1.55
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(diethylamino)ethoxy]-N-methyl-5-propylpyrimidin-4-amine
CID 80871006
6-(2-methoxyethoxy)-N,5-dimethylpyrimidin-4-amine
CID 80859076
N,5-dimethyl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine
CID 80860742
4-N-[3-(diethylamino)propyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80777327
N,N-diethyl-2-[5-(methylaminomethyl)pyrimidin-4-yl]oxyethanamine
CID 114217117
N,N-diethyl-2-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)oxyethanamine
CID 81001085
4-N-[1-(diethylamino)propan-2-yl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80817047
6-[2-(diethylamino)ethoxy]-5-propylpyrimidin-4-amine
CID 80870423
N,N-diethyl-2-(5-iodopyrimidin-4-yl)oxyethanamine
CID 66320495
4-N-[2-(diethylamino)ethyl]-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80770786
4-N-[2-[ethyl(methyl)amino]ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80833362
6-[2-(dimethylamino)ethoxy]-5-methylpyrimidin-4-amine
CID 80871385

Frequently Asked Questions

What is the IUPAC name of 6-[2-(diethylamino)ethoxy]-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-[2-(diethylamino)ethoxy]-N,5-dimethylpyrimidin-4-amine (CID 80871416) is 6-[2-(diethylamino)ethoxy]-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-[2-(diethylamino)ethoxy]-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-[2-(diethylamino)ethoxy]-N,5-dimethylpyrimidin-4-amine is CCN(CC)CCOc1ncnc(NC)c1C.
What is the InChIKey of 6-[2-(diethylamino)ethoxy]-N,5-dimethylpyrimidin-4-amine?
The InChIKey is ZUMUOJXPSRANSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-5-16(6-2)7-8-17-12-10(3)11(13-4)14-9-15-12/h9H,5-8H2,1-4H3,(H,13,14,15).
What are the key properties of 6-[2-(diethylamino)ethoxy]-N,5-dimethylpyrimidin-4-amine?
6-[2-(diethylamino)ethoxy]-N,5-dimethylpyrimidin-4-amine has a molecular weight of 238.33 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(diethylamino)ethoxy]-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80871416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).