5-(4-aminopiperidin-1-yl)-1,3-dimethylpyrimidine-2,4-dione;dihydrochloride

C11H20Cl2N4O2 — CID 154582384

IUPAC5-(4-aminopiperidin-1-yl)-1,3-dimethylpyrimidine-2,4-dione;dihydrochloride
SMILESCl.Cl.Cn1cc(N2CCC(N)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C11H18N4O2.2ClH/c1-13-7-9(10(16)14(2)11(13)17)15-5-3-8(12)4-6-15;;/h7-8H,3-6,12H2,1-2H3;2*1H
InChIKeyRZQNOKAMBSJHLJ-UHFFFAOYSA-N
MW311.21 g/mol
LogP-0.14
Rot. Bonds1

About 5-(4-aminopiperidin-1-yl)-1,3-dimethylpyrimidine-2,4-dione;dihydrochloride

5-(4-aminopiperidin-1-yl)-1,3-dimethylpyrimidine-2,4-dione;dihydrochloride (PubChem CID 154582384) has the molecular formula C11H20Cl2N4O2 and a molecular weight of 311.21 g/mol. Its IUPAC name is 5-(4-aminopiperidin-1-yl)-1,3-dimethylpyrimidine-2,4-dione;dihydrochloride.

Molecular Properties

Compound Name5-(4-aminopiperidin-1-yl)-1,3-dimethylpyrimidine-2,4-dione;dihydrochloride
PubChem CID154582384
Molecular FormulaC11H20Cl2N4O2
Molecular Weight311.21 g/mol
Exact Mass310.10
IUPAC Name5-(4-aminopiperidin-1-yl)-1,3-dimethylpyrimidine-2,4-dione;dihydrochloride
SMILESCl.Cl.Cn1cc(N2CCC(N)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C11H18N4O2.2ClH/c1-13-7-9(10(16)14(2)11(13)17)15-5-3-8(12)4-6-15;;/h7-8H,3-6,12H2,1-2H3;2*1H
InChIKeyRZQNOKAMBSJHLJ-UHFFFAOYSA-N
XLogP-0.14
TPSA73.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-aminopiperidin-1-yl)-1,3-dimethylpyrimidine-2,4-dione;dihydrochloride?
The IUPAC name of 5-(4-aminopiperidin-1-yl)-1,3-dimethylpyrimidine-2,4-dione;dihydrochloride (CID 154582384) is 5-(4-aminopiperidin-1-yl)-1,3-dimethylpyrimidine-2,4-dione;dihydrochloride.
What is the SMILES notation for 5-(4-aminopiperidin-1-yl)-1,3-dimethylpyrimidine-2,4-dione;dihydrochloride?
The canonical SMILES for 5-(4-aminopiperidin-1-yl)-1,3-dimethylpyrimidine-2,4-dione;dihydrochloride is Cl.Cl.Cn1cc(N2CCC(N)CC2)c(=O)n(C)c1=O.
What is the InChIKey of 5-(4-aminopiperidin-1-yl)-1,3-dimethylpyrimidine-2,4-dione;dihydrochloride?
The InChIKey is RZQNOKAMBSJHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2.2ClH/c1-13-7-9(10(16)14(2)11(13)17)15-5-3-8(12)4-6-15;;/h7-8H,3-6,12H2,1-2H3;2*1H.
What are the key properties of 5-(4-aminopiperidin-1-yl)-1,3-dimethylpyrimidine-2,4-dione;dihydrochloride?
5-(4-aminopiperidin-1-yl)-1,3-dimethylpyrimidine-2,4-dione;dihydrochloride has a molecular weight of 311.21 g/mol, XLogP of -0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminopiperidin-1-yl)-1,3-dimethylpyrimidine-2,4-dione;dihydrochloride is sourced from PubChem (CID 154582384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).