1-pyrimidin-2-ylpiperazin-2-one;dihydrochloride

C8H12Cl2N4O — CID 138991842

IUPAC1-pyrimidin-2-ylpiperazin-2-one;dihydrochloride
SMILESCl.Cl.O=C1CNCCN1c1ncccn1
InChIInChI=1S/C8H10N4O.2ClH/c13-7-6-9-4-5-12(7)8-10-2-1-3-11-8;;/h1-3,9H,4-6H2;2*1H
InChIKeyPXNHUGKFDPNKKF-UHFFFAOYSA-N
MW251.12 g/mol
LogP0.26
Rot. Bonds1

About 1-pyrimidin-2-ylpiperazin-2-one;dihydrochloride

1-pyrimidin-2-ylpiperazin-2-one;dihydrochloride (PubChem CID 138991842) has the molecular formula C8H12Cl2N4O and a molecular weight of 251.12 g/mol. Its IUPAC name is 1-pyrimidin-2-ylpiperazin-2-one;dihydrochloride.

Molecular Properties

Compound Name1-pyrimidin-2-ylpiperazin-2-one;dihydrochloride
PubChem CID138991842
Molecular FormulaC8H12Cl2N4O
Molecular Weight251.12 g/mol
Exact Mass250.04
IUPAC Name1-pyrimidin-2-ylpiperazin-2-one;dihydrochloride
SMILESCl.Cl.O=C1CNCCN1c1ncccn1
InChIInChI=1S/C8H10N4O.2ClH/c13-7-6-9-4-5-12(7)8-10-2-1-3-11-8;;/h1-3,9H,4-6H2;2*1H
InChIKeyPXNHUGKFDPNKKF-UHFFFAOYSA-N
XLogP0.26
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.12
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-2-ylpiperazin-2-one;dihydrochloride?
The IUPAC name of 1-pyrimidin-2-ylpiperazin-2-one;dihydrochloride (CID 138991842) is 1-pyrimidin-2-ylpiperazin-2-one;dihydrochloride.
What is the SMILES notation for 1-pyrimidin-2-ylpiperazin-2-one;dihydrochloride?
The canonical SMILES for 1-pyrimidin-2-ylpiperazin-2-one;dihydrochloride is Cl.Cl.O=C1CNCCN1c1ncccn1.
What is the InChIKey of 1-pyrimidin-2-ylpiperazin-2-one;dihydrochloride?
The InChIKey is PXNHUGKFDPNKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O.2ClH/c13-7-6-9-4-5-12(7)8-10-2-1-3-11-8;;/h1-3,9H,4-6H2;2*1H.
What are the key properties of 1-pyrimidin-2-ylpiperazin-2-one;dihydrochloride?
1-pyrimidin-2-ylpiperazin-2-one;dihydrochloride has a molecular weight of 251.12 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimidin-2-ylpiperazin-2-one;dihydrochloride is sourced from PubChem (CID 138991842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).