5-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one

C9H14N4O — CID 3073824

IUPAC5-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCN1CCN(c2cnc[nH]c2=O)CC1
InChIInChI=1S/C9H14N4O/c1-12-2-4-13(5-3-12)8-6-10-7-11-9(8)14/h6-7H,2-5H2,1H3,(H,10,11,14)
InChIKeyJEURZSJNEJLJSR-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.48
Rot. Bonds1

About 5-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one

5-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one (PubChem CID 3073824) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 5-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
PubChem CID3073824
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name5-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCN1CCN(c2cnc[nH]c2=O)CC1
InChIInChI=1S/C9H14N4O/c1-12-2-4-13(5-3-12)8-6-10-7-11-9(8)14/h6-7H,2-5H2,1H3,(H,10,11,14)
InChIKeyJEURZSJNEJLJSR-UHFFFAOYSA-N
XLogP-0.48
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one (CID 3073824) is 5-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one is CN1CCN(c2cnc[nH]c2=O)CC1.
What is the InChIKey of 5-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is JEURZSJNEJLJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-12-2-4-13(5-3-12)8-6-10-7-11-9(8)14/h6-7H,2-5H2,1H3,(H,10,11,14).
What are the key properties of 5-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
5-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 194.24 g/mol, XLogP of -0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 3073824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).