5-[4-[hydroxy(oxido)amino]piperazin-1-yl]-2,4-dimethyl-1H-pyrimidin-6-one

C10H16N5O3- — CID 135720739

IUPAC5-[4-[hydroxy(oxido)amino]piperazin-1-yl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(C)c(N2CCN(N([O-])O)CC2)c(=O)[nH]1
InChIInChI=1S/C10H16N5O3/c1-7-9(10(16)12-8(2)11-7)13-3-5-14(6-4-13)15(17)18/h17H,3-6H2,1-2H3,(H,11,12,16)/q-1
InChIKeyJSXYSMPSBPBBHD-UHFFFAOYSA-N
MW254.27 g/mol
LogP-0.39
Rot. Bonds2

About 5-[4-[hydroxy(oxido)amino]piperazin-1-yl]-2,4-dimethyl-1H-pyrimidin-6-one

5-[4-[hydroxy(oxido)amino]piperazin-1-yl]-2,4-dimethyl-1H-pyrimidin-6-one (PubChem CID 135720739) has the molecular formula C10H16N5O3- and a molecular weight of 254.27 g/mol. Its IUPAC name is 5-[4-[hydroxy(oxido)amino]piperazin-1-yl]-2,4-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[4-[hydroxy(oxido)amino]piperazin-1-yl]-2,4-dimethyl-1H-pyrimidin-6-one
PubChem CID135720739
Molecular FormulaC10H16N5O3-
Molecular Weight254.27 g/mol
Exact Mass254.13
IUPAC Name5-[4-[hydroxy(oxido)amino]piperazin-1-yl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(C)c(N2CCN(N([O-])O)CC2)c(=O)[nH]1
InChIInChI=1S/C10H16N5O3/c1-7-9(10(16)12-8(2)11-7)13-3-5-14(6-4-13)15(17)18/h17H,3-6H2,1-2H3,(H,11,12,16)/q-1
InChIKeyJSXYSMPSBPBBHD-UHFFFAOYSA-N
XLogP-0.39
TPSA98.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[hydroxy(oxido)amino]piperazin-1-yl]-2,4-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[4-[hydroxy(oxido)amino]piperazin-1-yl]-2,4-dimethyl-1H-pyrimidin-6-one (CID 135720739) is 5-[4-[hydroxy(oxido)amino]piperazin-1-yl]-2,4-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[4-[hydroxy(oxido)amino]piperazin-1-yl]-2,4-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[4-[hydroxy(oxido)amino]piperazin-1-yl]-2,4-dimethyl-1H-pyrimidin-6-one is Cc1nc(C)c(N2CCN(N([O-])O)CC2)c(=O)[nH]1.
What is the InChIKey of 5-[4-[hydroxy(oxido)amino]piperazin-1-yl]-2,4-dimethyl-1H-pyrimidin-6-one?
The InChIKey is JSXYSMPSBPBBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N5O3/c1-7-9(10(16)12-8(2)11-7)13-3-5-14(6-4-13)15(17)18/h17H,3-6H2,1-2H3,(H,11,12,16)/q-1.
What are the key properties of 5-[4-[hydroxy(oxido)amino]piperazin-1-yl]-2,4-dimethyl-1H-pyrimidin-6-one?
5-[4-[hydroxy(oxido)amino]piperazin-1-yl]-2,4-dimethyl-1H-pyrimidin-6-one has a molecular weight of 254.27 g/mol, XLogP of -0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[hydroxy(oxido)amino]piperazin-1-yl]-2,4-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135720739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).