2-(1,4-dimethylpiperazin-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one

C12H20N4O2 — CID 79658713

IUPAC2-(1,4-dimethylpiperazin-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(C2CN(C)CCN2C)[nH]c1=O
InChIInChI=1S/C12H20N4O2/c1-4-8-11(17)13-10(14-12(8)18)9-7-15(2)5-6-16(9)3/h9H,4-7H2,1-3H3,(H2,13,14,17,18)
InChIKeyZLGLVOCLYUJIHW-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.04
Rot. Bonds2

About 2-(1,4-dimethylpiperazin-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one

2-(1,4-dimethylpiperazin-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 79658713) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(1,4-dimethylpiperazin-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1,4-dimethylpiperazin-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
PubChem CID79658713
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-(1,4-dimethylpiperazin-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(C2CN(C)CCN2C)[nH]c1=O
InChIInChI=1S/C12H20N4O2/c1-4-8-11(17)13-10(14-12(8)18)9-7-15(2)5-6-16(9)3/h9H,4-7H2,1-3H3,(H2,13,14,17,18)
InChIKeyZLGLVOCLYUJIHW-UHFFFAOYSA-N
XLogP-0.04
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one (CID 79658713) is 2-(1,4-dimethylpiperazin-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1,4-dimethylpiperazin-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1,4-dimethylpiperazin-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one is CCc1c(O)nc(C2CN(C)CCN2C)[nH]c1=O.
What is the InChIKey of 2-(1,4-dimethylpiperazin-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is ZLGLVOCLYUJIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-4-8-11(17)13-10(14-12(8)18)9-7-15(2)5-6-16(9)3/h9H,4-7H2,1-3H3,(H2,13,14,17,18).
What are the key properties of 2-(1,4-dimethylpiperazin-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
2-(1,4-dimethylpiperazin-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 252.32 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethylpiperazin-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 79658713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).