5-(piperazin-1-ylmethyl)-1H-pyrimidine-2,4-dione;dihydrochloride

C9H16Cl2N4O2 — CID 71308048

IUPAC5-(piperazin-1-ylmethyl)-1H-pyrimidine-2,4-dione;dihydrochloride
SMILESCl.Cl.O=c1[nH]cc(CN2CCNCC2)c(=O)[nH]1
InChIInChI=1S/C9H14N4O2.2ClH/c14-8-7(5-11-9(15)12-8)6-13-3-1-10-2-4-13;;/h5,10H,1-4,6H2,(H2,11,12,14,15);2*1H
InChIKeyCSXWDSLIEPPCNB-UHFFFAOYSA-N
MW283.16 g/mol
LogP-0.69
Rot. Bonds2

About 5-(piperazin-1-ylmethyl)-1H-pyrimidine-2,4-dione;dihydrochloride

5-(piperazin-1-ylmethyl)-1H-pyrimidine-2,4-dione;dihydrochloride (PubChem CID 71308048) has the molecular formula C9H16Cl2N4O2 and a molecular weight of 283.16 g/mol. Its IUPAC name is 5-(piperazin-1-ylmethyl)-1H-pyrimidine-2,4-dione;dihydrochloride.

Molecular Properties

Compound Name5-(piperazin-1-ylmethyl)-1H-pyrimidine-2,4-dione;dihydrochloride
PubChem CID71308048
Molecular FormulaC9H16Cl2N4O2
Molecular Weight283.16 g/mol
Exact Mass282.07
IUPAC Name5-(piperazin-1-ylmethyl)-1H-pyrimidine-2,4-dione;dihydrochloride
SMILESCl.Cl.O=c1[nH]cc(CN2CCNCC2)c(=O)[nH]1
InChIInChI=1S/C9H14N4O2.2ClH/c14-8-7(5-11-9(15)12-8)6-13-3-1-10-2-4-13;;/h5,10H,1-4,6H2,(H2,11,12,14,15);2*1H
InChIKeyCSXWDSLIEPPCNB-UHFFFAOYSA-N
XLogP-0.69
TPSA80.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(piperazin-1-ylmethyl)-1H-pyrimidine-2,4-dione;dihydrochloride?
The IUPAC name of 5-(piperazin-1-ylmethyl)-1H-pyrimidine-2,4-dione;dihydrochloride (CID 71308048) is 5-(piperazin-1-ylmethyl)-1H-pyrimidine-2,4-dione;dihydrochloride.
What is the SMILES notation for 5-(piperazin-1-ylmethyl)-1H-pyrimidine-2,4-dione;dihydrochloride?
The canonical SMILES for 5-(piperazin-1-ylmethyl)-1H-pyrimidine-2,4-dione;dihydrochloride is Cl.Cl.O=c1[nH]cc(CN2CCNCC2)c(=O)[nH]1.
What is the InChIKey of 5-(piperazin-1-ylmethyl)-1H-pyrimidine-2,4-dione;dihydrochloride?
The InChIKey is CSXWDSLIEPPCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2.2ClH/c14-8-7(5-11-9(15)12-8)6-13-3-1-10-2-4-13;;/h5,10H,1-4,6H2,(H2,11,12,14,15);2*1H.
What are the key properties of 5-(piperazin-1-ylmethyl)-1H-pyrimidine-2,4-dione;dihydrochloride?
5-(piperazin-1-ylmethyl)-1H-pyrimidine-2,4-dione;dihydrochloride has a molecular weight of 283.16 g/mol, XLogP of -0.69, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperazin-1-ylmethyl)-1H-pyrimidine-2,4-dione;dihydrochloride is sourced from PubChem (CID 71308048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).