N'-hydroxy-3-[methyl-(5-methylpyrimidin-2-yl)amino]butanimidamide

C10H17N5O — CID 76987771

IUPACN'-hydroxy-3-[methyl-(5-methylpyrimidin-2-yl)amino]butanimidamide
SMILESCc1cnc(N(C)C(C)CC(N)=NO)nc1
InChIInChI=1S/C10H17N5O/c1-7-5-12-10(13-6-7)15(3)8(2)4-9(11)14-16/h5-6,8,16H,4H2,1-3H3,(H2,11,14)
InChIKeyPWFCSDMRFGHPDF-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.75
Rot. Bonds4

About N'-hydroxy-3-[methyl-(5-methylpyrimidin-2-yl)amino]butanimidamide

N'-hydroxy-3-[methyl-(5-methylpyrimidin-2-yl)amino]butanimidamide (PubChem CID 76987771) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl-(5-methylpyrimidin-2-yl)amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl-(5-methylpyrimidin-2-yl)amino]butanimidamide
PubChem CID76987771
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC NameN'-hydroxy-3-[methyl-(5-methylpyrimidin-2-yl)amino]butanimidamide
SMILESCc1cnc(N(C)C(C)CC(N)=NO)nc1
InChIInChI=1S/C10H17N5O/c1-7-5-12-10(13-6-7)15(3)8(2)4-9(11)14-16/h5-6,8,16H,4H2,1-3H3,(H2,11,14)
InChIKeyPWFCSDMRFGHPDF-UHFFFAOYSA-N
XLogP0.75
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.75
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-3-[methyl-(5-methylpyrimidin-2-yl)amino]butanimidamide?
The IUPAC name of N'-hydroxy-3-[methyl-(5-methylpyrimidin-2-yl)amino]butanimidamide (CID 76987771) is N'-hydroxy-3-[methyl-(5-methylpyrimidin-2-yl)amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl-(5-methylpyrimidin-2-yl)amino]butanimidamide?
The canonical SMILES for N'-hydroxy-3-[methyl-(5-methylpyrimidin-2-yl)amino]butanimidamide is Cc1cnc(N(C)C(C)CC(N)=NO)nc1.
What is the InChIKey of N'-hydroxy-3-[methyl-(5-methylpyrimidin-2-yl)amino]butanimidamide?
The InChIKey is PWFCSDMRFGHPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-7-5-12-10(13-6-7)15(3)8(2)4-9(11)14-16/h5-6,8,16H,4H2,1-3H3,(H2,11,14).
What are the key properties of N'-hydroxy-3-[methyl-(5-methylpyrimidin-2-yl)amino]butanimidamide?
N'-hydroxy-3-[methyl-(5-methylpyrimidin-2-yl)amino]butanimidamide has a molecular weight of 223.28 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[methyl-(5-methylpyrimidin-2-yl)amino]butanimidamide is sourced from PubChem (CID 76987771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).