6-[(3R)-3-aminopiperidin-1-yl]-N,N-diethylpyrimidin-4-amine

C13H23N5 — CID 86318094

IUPAC6-[(3R)-3-aminopiperidin-1-yl]-N,N-diethylpyrimidin-4-amine
SMILESCCN(CC)c1cc(N2CCC[C@@H](N)C2)ncn1
InChIInChI=1S/C13H23N5/c1-3-17(4-2)12-8-13(16-10-15-12)18-7-5-6-11(14)9-18/h8,10-11H,3-7,9,14H2,1-2H3/t11-/m1/s1
InChIKeyHNTDVXCZODVPAX-LLVKDONJSA-N
MW249.36 g/mol
LogP1.25
Rot. Bonds4

About 6-[(3R)-3-aminopiperidin-1-yl]-N,N-diethylpyrimidin-4-amine

6-[(3R)-3-aminopiperidin-1-yl]-N,N-diethylpyrimidin-4-amine (PubChem CID 86318094) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 6-[(3R)-3-aminopiperidin-1-yl]-N,N-diethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(3R)-3-aminopiperidin-1-yl]-N,N-diethylpyrimidin-4-amine
PubChem CID86318094
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name6-[(3R)-3-aminopiperidin-1-yl]-N,N-diethylpyrimidin-4-amine
SMILESCCN(CC)c1cc(N2CCC[C@@H](N)C2)ncn1
InChIInChI=1S/C13H23N5/c1-3-17(4-2)12-8-13(16-10-15-12)18-7-5-6-11(14)9-18/h8,10-11H,3-7,9,14H2,1-2H3/t11-/m1/s1
InChIKeyHNTDVXCZODVPAX-LLVKDONJSA-N
XLogP1.25
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-aminopiperidin-1-yl)-N,N-dimethylpyrimidin-4-amine
CID 53185813
[1-[6-(diethylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 66570083
[(3R)-1-[6-(diethylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 86331729
1-[6-(diethylamino)pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 66570081
1-(6-propoxypyrimidin-4-yl)piperidin-3-amine
CID 66333796
(3R)-1-(6-methylsulfanylpyrimidin-4-yl)piperidin-3-amine
CID 106973343
N,N-diethyl-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine
CID 112858075
N-benzyl-N-ethyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855661
N,N-dipropyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855707
4-[6-(diethylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858251
2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]ethanol
CID 133381541
6-(4-benzylpiperazin-1-yl)-N,N-diethylpyrimidin-4-amine
CID 112862165

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-aminopiperidin-1-yl]-N,N-diethylpyrimidin-4-amine?
The IUPAC name of 6-[(3R)-3-aminopiperidin-1-yl]-N,N-diethylpyrimidin-4-amine (CID 86318094) is 6-[(3R)-3-aminopiperidin-1-yl]-N,N-diethylpyrimidin-4-amine.
What is the SMILES notation for 6-[(3R)-3-aminopiperidin-1-yl]-N,N-diethylpyrimidin-4-amine?
The canonical SMILES for 6-[(3R)-3-aminopiperidin-1-yl]-N,N-diethylpyrimidin-4-amine is CCN(CC)c1cc(N2CCC[C@@H](N)C2)ncn1.
What is the InChIKey of 6-[(3R)-3-aminopiperidin-1-yl]-N,N-diethylpyrimidin-4-amine?
The InChIKey is HNTDVXCZODVPAX-LLVKDONJSA-N. The full InChI is InChI=1S/C13H23N5/c1-3-17(4-2)12-8-13(16-10-15-12)18-7-5-6-11(14)9-18/h8,10-11H,3-7,9,14H2,1-2H3/t11-/m1/s1.
What are the key properties of 6-[(3R)-3-aminopiperidin-1-yl]-N,N-diethylpyrimidin-4-amine?
6-[(3R)-3-aminopiperidin-1-yl]-N,N-diethylpyrimidin-4-amine has a molecular weight of 249.36 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-aminopiperidin-1-yl]-N,N-diethylpyrimidin-4-amine is sourced from PubChem (CID 86318094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).