2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N'-hydroxybutanimidamide

C14H24N6O — CID 77012258

IUPAC2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N'-hydroxybutanimidamide
SMILESCCC(C(N)=NO)N1CCN(c2nc(C)cc(C)n2)CC1
InChIInChI=1S/C14H24N6O/c1-4-12(13(15)18-21)19-5-7-20(8-6-19)14-16-10(2)9-11(3)17-14/h9,12,21H,4-8H2,1-3H3,(H2,15,18)
InChIKeyGQRKFDMOMJNNPD-UHFFFAOYSA-N
MW292.39 g/mol
LogP0.74
Rot. Bonds4

About 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N'-hydroxybutanimidamide

2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N'-hydroxybutanimidamide (PubChem CID 77012258) has the molecular formula C14H24N6O and a molecular weight of 292.39 g/mol. Its IUPAC name is 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N'-hydroxybutanimidamide
PubChem CID77012258
Molecular FormulaC14H24N6O
Molecular Weight292.39 g/mol
Exact Mass292.20
IUPAC Name2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N'-hydroxybutanimidamide
SMILESCCC(C(N)=NO)N1CCN(c2nc(C)cc(C)n2)CC1
InChIInChI=1S/C14H24N6O/c1-4-12(13(15)18-21)19-5-7-20(8-6-19)14-16-10(2)9-11(3)17-14/h9,12,21H,4-8H2,1-3H3,(H2,15,18)
InChIKeyGQRKFDMOMJNNPD-UHFFFAOYSA-N
XLogP0.74
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N'-hydroxybutanimidamide?
The IUPAC name of 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N'-hydroxybutanimidamide (CID 77012258) is 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N'-hydroxybutanimidamide.
What is the SMILES notation for 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N'-hydroxybutanimidamide?
The canonical SMILES for 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N'-hydroxybutanimidamide is CCC(C(N)=NO)N1CCN(c2nc(C)cc(C)n2)CC1.
What is the InChIKey of 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N'-hydroxybutanimidamide?
The InChIKey is GQRKFDMOMJNNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O/c1-4-12(13(15)18-21)19-5-7-20(8-6-19)14-16-10(2)9-11(3)17-14/h9,12,21H,4-8H2,1-3H3,(H2,15,18).
What are the key properties of 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N'-hydroxybutanimidamide?
2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N'-hydroxybutanimidamide has a molecular weight of 292.39 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N'-hydroxybutanimidamide is sourced from PubChem (CID 77012258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).