2-(4-aminopiperidin-1-yl)-4-methyl-1H-pyrimidin-6-one;dihydrochloride

C10H18Cl2N4O — CID 137017015

IUPAC2-(4-aminopiperidin-1-yl)-4-methyl-1H-pyrimidin-6-one;dihydrochloride
SMILESCc1cc(=O)[nH]c(N2CCC(N)CC2)n1.Cl.Cl
InChIInChI=1S/C10H16N4O.2ClH/c1-7-6-9(15)13-10(12-7)14-4-2-8(11)3-5-14;;/h6,8H,2-5,11H2,1H3,(H,12,13,15);2*1H
InChIKeyITQMFTHGUKRTOF-UHFFFAOYSA-N
MW281.19 g/mol
LogP0.85
Rot. Bonds1

About 2-(4-aminopiperidin-1-yl)-4-methyl-1H-pyrimidin-6-one;dihydrochloride

2-(4-aminopiperidin-1-yl)-4-methyl-1H-pyrimidin-6-one;dihydrochloride (PubChem CID 137017015) has the molecular formula C10H18Cl2N4O and a molecular weight of 281.19 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-4-methyl-1H-pyrimidin-6-one;dihydrochloride.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-4-methyl-1H-pyrimidin-6-one;dihydrochloride
PubChem CID137017015
Molecular FormulaC10H18Cl2N4O
Molecular Weight281.19 g/mol
Exact Mass280.09
IUPAC Name2-(4-aminopiperidin-1-yl)-4-methyl-1H-pyrimidin-6-one;dihydrochloride
SMILESCc1cc(=O)[nH]c(N2CCC(N)CC2)n1.Cl.Cl
InChIInChI=1S/C10H16N4O.2ClH/c1-7-6-9(15)13-10(12-7)14-4-2-8(11)3-5-14;;/h6,8H,2-5,11H2,1H3,(H,12,13,15);2*1H
InChIKeyITQMFTHGUKRTOF-UHFFFAOYSA-N
XLogP0.85
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-4-methyl-1H-pyrimidin-6-one;dihydrochloride?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-4-methyl-1H-pyrimidin-6-one;dihydrochloride (CID 137017015) is 2-(4-aminopiperidin-1-yl)-4-methyl-1H-pyrimidin-6-one;dihydrochloride.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-4-methyl-1H-pyrimidin-6-one;dihydrochloride?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-4-methyl-1H-pyrimidin-6-one;dihydrochloride is Cc1cc(=O)[nH]c(N2CCC(N)CC2)n1.Cl.Cl.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-4-methyl-1H-pyrimidin-6-one;dihydrochloride?
The InChIKey is ITQMFTHGUKRTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O.2ClH/c1-7-6-9(15)13-10(12-7)14-4-2-8(11)3-5-14;;/h6,8H,2-5,11H2,1H3,(H,12,13,15);2*1H.
What are the key properties of 2-(4-aminopiperidin-1-yl)-4-methyl-1H-pyrimidin-6-one;dihydrochloride?
2-(4-aminopiperidin-1-yl)-4-methyl-1H-pyrimidin-6-one;dihydrochloride has a molecular weight of 281.19 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-4-methyl-1H-pyrimidin-6-one;dihydrochloride is sourced from PubChem (CID 137017015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).