6-(2-ethylpyrrolidin-1-yl)-N,5-dipropylpyrimidin-4-amine

C16H28N4 — CID 80797402

IUPAC6-(2-ethylpyrrolidin-1-yl)-N,5-dipropylpyrimidin-4-amine
SMILESCCCNc1ncnc(N2CCCC2CC)c1CCC
InChIInChI=1S/C16H28N4/c1-4-8-14-15(17-10-5-2)18-12-19-16(14)20-11-7-9-13(20)6-3/h12-13H,4-11H2,1-3H3,(H,17,18,19)
InChIKeyOZYBFMHSUXPPMR-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.63
Rot. Bonds7

About 6-(2-ethylpyrrolidin-1-yl)-N,5-dipropylpyrimidin-4-amine

6-(2-ethylpyrrolidin-1-yl)-N,5-dipropylpyrimidin-4-amine (PubChem CID 80797402) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 6-(2-ethylpyrrolidin-1-yl)-N,5-dipropylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-ethylpyrrolidin-1-yl)-N,5-dipropylpyrimidin-4-amine
PubChem CID80797402
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name6-(2-ethylpyrrolidin-1-yl)-N,5-dipropylpyrimidin-4-amine
SMILESCCCNc1ncnc(N2CCCC2CC)c1CCC
InChIInChI=1S/C16H28N4/c1-4-8-14-15(17-10-5-2)18-12-19-16(14)20-11-7-9-13(20)6-3/h12-13H,4-11H2,1-3H3,(H,17,18,19)
InChIKeyOZYBFMHSUXPPMR-UHFFFAOYSA-N
XLogP3.63
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-6-(2-ethylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
CID 80797289
6-(2-ethylpyrrolidin-1-yl)-N-methyl-5-propylpyrimidin-4-amine
CID 80791469
6-(2,3-dimethylpiperidin-1-yl)-N,5-dipropylpyrimidin-4-amine
CID 80798586
6-(2-ethylpyrrolidin-1-yl)-5-methyl-N-propylpyrimidin-4-amine
CID 80797292
6-(2-methylpiperidin-1-yl)-N,5-dipropylpyrimidin-4-amine
CID 80766937
6-(2-ethylpyrrolidin-1-yl)-5-nitro-N-propylpyrimidin-4-amine
CID 80793978
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-ethyl-5-propylpyrimidin-4-amine
CID 80828858
6-(2,3-dimethylpiperidin-1-yl)-5-ethyl-N-propylpyrimidin-4-amine
CID 80822466
N-ethyl-6-(2-methylpiperidin-1-yl)-5-propylpyrimidin-4-amine
CID 80767567
5-ethyl-6-(2-propan-2-ylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
CID 80855516
[1-[5-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 80756838
5-ethyl-6-(2-ethylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80797287

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylpyrrolidin-1-yl)-N,5-dipropylpyrimidin-4-amine?
The IUPAC name of 6-(2-ethylpyrrolidin-1-yl)-N,5-dipropylpyrimidin-4-amine (CID 80797402) is 6-(2-ethylpyrrolidin-1-yl)-N,5-dipropylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-ethylpyrrolidin-1-yl)-N,5-dipropylpyrimidin-4-amine?
The canonical SMILES for 6-(2-ethylpyrrolidin-1-yl)-N,5-dipropylpyrimidin-4-amine is CCCNc1ncnc(N2CCCC2CC)c1CCC.
What is the InChIKey of 6-(2-ethylpyrrolidin-1-yl)-N,5-dipropylpyrimidin-4-amine?
The InChIKey is OZYBFMHSUXPPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-4-8-14-15(17-10-5-2)18-12-19-16(14)20-11-7-9-13(20)6-3/h12-13H,4-11H2,1-3H3,(H,17,18,19).
What are the key properties of 6-(2-ethylpyrrolidin-1-yl)-N,5-dipropylpyrimidin-4-amine?
6-(2-ethylpyrrolidin-1-yl)-N,5-dipropylpyrimidin-4-amine has a molecular weight of 276.43 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylpyrrolidin-1-yl)-N,5-dipropylpyrimidin-4-amine is sourced from PubChem (CID 80797402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).