N'-hydroxy-2-methyl-3-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanimidamide

C12H21N5O — CID 54992328

IUPACN'-hydroxy-2-methyl-3-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanimidamide
SMILESCC(CN(C)c1cc(C(C)C)ncn1)/C(N)=N/O
InChIInChI=1S/C12H21N5O/c1-8(2)10-5-11(15-7-14-10)17(4)6-9(3)12(13)16-18/h5,7-9,18H,6H2,1-4H3,(H2,13,16)
InChIKeyQOWILWDINGUSCL-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.42
Rot. Bonds5

About N'-hydroxy-2-methyl-3-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanimidamide

N'-hydroxy-2-methyl-3-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanimidamide (PubChem CID 54992328) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanimidamide
PubChem CID54992328
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN'-hydroxy-2-methyl-3-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanimidamide
SMILESCC(CN(C)c1cc(C(C)C)ncn1)/C(N)=N/O
InChIInChI=1S/C12H21N5O/c1-8(2)10-5-11(15-7-14-10)17(4)6-9(3)12(13)16-18/h5,7-9,18H,6H2,1-4H3,(H2,13,16)
InChIKeyQOWILWDINGUSCL-UHFFFAOYSA-N
XLogP1.42
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N'-hydroxy-2-methyl-3-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanimidamide (CID 54992328) is N'-hydroxy-2-methyl-3-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanimidamide is CC(CN(C)c1cc(C(C)C)ncn1)/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-methyl-3-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanimidamide?
The InChIKey is QOWILWDINGUSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-8(2)10-5-11(15-7-14-10)17(4)6-9(3)12(13)16-18/h5,7-9,18H,6H2,1-4H3,(H2,13,16).
What are the key properties of N'-hydroxy-2-methyl-3-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanimidamide?
N'-hydroxy-2-methyl-3-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanimidamide has a molecular weight of 251.33 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-3-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanimidamide is sourced from PubChem (CID 54992328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).