5-chloro-4-piperazin-1-yl-1H-pyrimidin-6-one

C8H11ClN4O — CID 136958149

IUPAC5-chloro-4-piperazin-1-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CCNCC2)c1Cl
InChIInChI=1S/C8H11ClN4O/c9-6-7(11-5-12-8(6)14)13-3-1-10-2-4-13/h5,10H,1-4H2,(H,11,12,14)
InChIKeyBJBYYHSSFYHJKN-UHFFFAOYSA-N
MW214.66 g/mol
LogP-0.17
Rot. Bonds1

About 5-chloro-4-piperazin-1-yl-1H-pyrimidin-6-one

5-chloro-4-piperazin-1-yl-1H-pyrimidin-6-one (PubChem CID 136958149) has the molecular formula C8H11ClN4O and a molecular weight of 214.66 g/mol. Its IUPAC name is 5-chloro-4-piperazin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-piperazin-1-yl-1H-pyrimidin-6-one
PubChem CID136958149
Molecular FormulaC8H11ClN4O
Molecular Weight214.66 g/mol
Exact Mass214.06
IUPAC Name5-chloro-4-piperazin-1-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CCNCC2)c1Cl
InChIInChI=1S/C8H11ClN4O/c9-6-7(11-5-12-8(6)14)13-3-1-10-2-4-13/h5,10H,1-4H2,(H,11,12,14)
InChIKeyBJBYYHSSFYHJKN-UHFFFAOYSA-N
XLogP-0.17
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.66
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-piperazin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-piperazin-1-yl-1H-pyrimidin-6-one (CID 136958149) is 5-chloro-4-piperazin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-piperazin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-piperazin-1-yl-1H-pyrimidin-6-one is O=c1[nH]cnc(N2CCNCC2)c1Cl.
What is the InChIKey of 5-chloro-4-piperazin-1-yl-1H-pyrimidin-6-one?
The InChIKey is BJBYYHSSFYHJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4O/c9-6-7(11-5-12-8(6)14)13-3-1-10-2-4-13/h5,10H,1-4H2,(H,11,12,14).
What are the key properties of 5-chloro-4-piperazin-1-yl-1H-pyrimidin-6-one?
5-chloro-4-piperazin-1-yl-1H-pyrimidin-6-one has a molecular weight of 214.66 g/mol, XLogP of -0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-piperazin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136958149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).