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

C9H16N6O3 — CID 135720740

IUPAC4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-hydroxypiperazin-1-amine oxide
SMILESCc1nc(N)c(N2CCN([NH+]([O-])O)CC2)c(=O)[nH]1
InChIInChI=1S/C9H16N6O3/c1-6-11-8(10)7(9(16)12-6)13-2-4-14(5-3-13)15(17)18/h15,17H,2-5H2,1H3,(H3,10,11,12,16)
InChIKeyMBOGRNFOUVHGIB-UHFFFAOYSA-N
MW256.27 g/mol
LogP-2.53
Rot. Bonds2

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

4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-hydroxypiperazin-1-amine oxide (PubChem CID 135720740) has the molecular formula C9H16N6O3 and a molecular weight of 256.27 g/mol. Its IUPAC name is 4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-hydroxypiperazin-1-amine oxide.

Molecular Properties

Compound Name4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-hydroxypiperazin-1-amine oxide
PubChem CID135720740
Molecular FormulaC9H16N6O3
Molecular Weight256.27 g/mol
Exact Mass256.13
IUPAC Name4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-hydroxypiperazin-1-amine oxide
SMILESCc1nc(N)c(N2CCN([NH+]([O-])O)CC2)c(=O)[nH]1
InChIInChI=1S/C9H16N6O3/c1-6-11-8(10)7(9(16)12-6)13-2-4-14(5-3-13)15(17)18/h15,17H,2-5H2,1H3,(H3,10,11,12,16)
InChIKeyMBOGRNFOUVHGIB-UHFFFAOYSA-N
XLogP-2.53
TPSA125.98 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 5-2.53
H-Bond Donors ≤ 54
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 4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-hydroxypiperazin-1-amine oxide?
The IUPAC name of 4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-hydroxypiperazin-1-amine oxide (CID 135720740) is 4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-hydroxypiperazin-1-amine oxide.
What is the SMILES notation for 4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-hydroxypiperazin-1-amine oxide?
The canonical SMILES for 4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-hydroxypiperazin-1-amine oxide is Cc1nc(N)c(N2CCN([NH+]([O-])O)CC2)c(=O)[nH]1.
What is the InChIKey of 4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-hydroxypiperazin-1-amine oxide?
The InChIKey is MBOGRNFOUVHGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6O3/c1-6-11-8(10)7(9(16)12-6)13-2-4-14(5-3-13)15(17)18/h15,17H,2-5H2,1H3,(H3,10,11,12,16).
What are the key properties of 4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-hydroxypiperazin-1-amine oxide?
4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-hydroxypiperazin-1-amine oxide has a molecular weight of 256.27 g/mol, XLogP of -2.53, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-hydroxypiperazin-1-amine oxide is sourced from PubChem (CID 135720740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).