4-hydroxy-2-piperazin-1-yl-5-propan-2-yl-1H-pyrimidin-6-one

C11H18N4O2 — CID 63555883

IUPAC4-hydroxy-2-piperazin-1-yl-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(O)nc(N2CCNCC2)[nH]c1=O
InChIInChI=1S/C11H18N4O2/c1-7(2)8-9(16)13-11(14-10(8)17)15-5-3-12-4-6-15/h7,12H,3-6H2,1-2H3,(H2,13,14,16,17)
InChIKeyBMTDZNSVYLETNM-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.01
Rot. Bonds2

About 4-hydroxy-2-piperazin-1-yl-5-propan-2-yl-1H-pyrimidin-6-one

4-hydroxy-2-piperazin-1-yl-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 63555883) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-hydroxy-2-piperazin-1-yl-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-piperazin-1-yl-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID63555883
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name4-hydroxy-2-piperazin-1-yl-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(O)nc(N2CCNCC2)[nH]c1=O
InChIInChI=1S/C11H18N4O2/c1-7(2)8-9(16)13-11(14-10(8)17)15-5-3-12-4-6-15/h7,12H,3-6H2,1-2H3,(H2,13,14,16,17)
InChIKeyBMTDZNSVYLETNM-UHFFFAOYSA-N
XLogP0.01
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-piperazin-1-yl-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-piperazin-1-yl-5-propan-2-yl-1H-pyrimidin-6-one (CID 63555883) is 4-hydroxy-2-piperazin-1-yl-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-piperazin-1-yl-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-piperazin-1-yl-5-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1c(O)nc(N2CCNCC2)[nH]c1=O.
What is the InChIKey of 4-hydroxy-2-piperazin-1-yl-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is BMTDZNSVYLETNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-7(2)8-9(16)13-11(14-10(8)17)15-5-3-12-4-6-15/h7,12H,3-6H2,1-2H3,(H2,13,14,16,17).
What are the key properties of 4-hydroxy-2-piperazin-1-yl-5-propan-2-yl-1H-pyrimidin-6-one?
4-hydroxy-2-piperazin-1-yl-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of 0.01, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-piperazin-1-yl-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 63555883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).