4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-hydroxypiperazin-1-amine oxide

C10H17N5O3 — CID 135720738

IUPAC4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-hydroxypiperazin-1-amine oxide
SMILESCc1nc(C)c(N2CCN([NH+]([O-])O)CC2)c(=O)[nH]1
InChIInChI=1S/C10H17N5O3/c1-7-9(10(16)12-8(2)11-7)13-3-5-14(6-4-13)15(17)18/h15,17H,3-6H2,1-2H3,(H,11,12,16)
InChIKeyWRLGFQUYQMMKAN-UHFFFAOYSA-N
MW255.28 g/mol
LogP-1.80
Rot. Bonds2

About 4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-hydroxypiperazin-1-amine oxide

4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-hydroxypiperazin-1-amine oxide (PubChem CID 135720738) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is 4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-hydroxypiperazin-1-amine oxide.

Molecular Properties

Compound Name4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-hydroxypiperazin-1-amine oxide
PubChem CID135720738
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC Name4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-hydroxypiperazin-1-amine oxide
SMILESCc1nc(C)c(N2CCN([NH+]([O-])O)CC2)c(=O)[nH]1
InChIInChI=1S/C10H17N5O3/c1-7-9(10(16)12-8(2)11-7)13-3-5-14(6-4-13)15(17)18/h15,17H,3-6H2,1-2H3,(H,11,12,16)
InChIKeyWRLGFQUYQMMKAN-UHFFFAOYSA-N
XLogP-1.80
TPSA99.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 5-1.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-hydroxypiperazin-1-amine oxide?
The IUPAC name of 4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-hydroxypiperazin-1-amine oxide (CID 135720738) is 4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-hydroxypiperazin-1-amine oxide.
What is the SMILES notation for 4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-hydroxypiperazin-1-amine oxide?
The canonical SMILES for 4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-hydroxypiperazin-1-amine oxide is Cc1nc(C)c(N2CCN([NH+]([O-])O)CC2)c(=O)[nH]1.
What is the InChIKey of 4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-hydroxypiperazin-1-amine oxide?
The InChIKey is WRLGFQUYQMMKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3/c1-7-9(10(16)12-8(2)11-7)13-3-5-14(6-4-13)15(17)18/h15,17H,3-6H2,1-2H3,(H,11,12,16).
What are the key properties of 4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-hydroxypiperazin-1-amine oxide?
4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-hydroxypiperazin-1-amine oxide has a molecular weight of 255.28 g/mol, XLogP of -1.80, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-hydroxypiperazin-1-amine oxide is sourced from PubChem (CID 135720738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).