N'-hydroxy-3-(4-methylpyrimidin-2-yl)sulfanylpentanimidamide

C10H16N4OS — CID 76937953

IUPACN'-hydroxy-3-(4-methylpyrimidin-2-yl)sulfanylpentanimidamide
SMILESCCC(CC(N)=NO)Sc1nccc(C)n1
InChIInChI=1S/C10H16N4OS/c1-3-8(6-9(11)14-15)16-10-12-5-4-7(2)13-10/h4-5,8,15H,3,6H2,1-2H3,(H2,11,14)
InChIKeyAPXXLEYWLAVEPD-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.79
Rot. Bonds5

About N'-hydroxy-3-(4-methylpyrimidin-2-yl)sulfanylpentanimidamide

N'-hydroxy-3-(4-methylpyrimidin-2-yl)sulfanylpentanimidamide (PubChem CID 76937953) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is N'-hydroxy-3-(4-methylpyrimidin-2-yl)sulfanylpentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(4-methylpyrimidin-2-yl)sulfanylpentanimidamide
PubChem CID76937953
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC NameN'-hydroxy-3-(4-methylpyrimidin-2-yl)sulfanylpentanimidamide
SMILESCCC(CC(N)=NO)Sc1nccc(C)n1
InChIInChI=1S/C10H16N4OS/c1-3-8(6-9(11)14-15)16-10-12-5-4-7(2)13-10/h4-5,8,15H,3,6H2,1-2H3,(H2,11,14)
InChIKeyAPXXLEYWLAVEPD-UHFFFAOYSA-N
XLogP1.79
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.79
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-(4-methylpyrimidin-2-yl)sulfanylpentanimidamide?
The IUPAC name of N'-hydroxy-3-(4-methylpyrimidin-2-yl)sulfanylpentanimidamide (CID 76937953) is N'-hydroxy-3-(4-methylpyrimidin-2-yl)sulfanylpentanimidamide.
What is the SMILES notation for N'-hydroxy-3-(4-methylpyrimidin-2-yl)sulfanylpentanimidamide?
The canonical SMILES for N'-hydroxy-3-(4-methylpyrimidin-2-yl)sulfanylpentanimidamide is CCC(CC(N)=NO)Sc1nccc(C)n1.
What is the InChIKey of N'-hydroxy-3-(4-methylpyrimidin-2-yl)sulfanylpentanimidamide?
The InChIKey is APXXLEYWLAVEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-3-8(6-9(11)14-15)16-10-12-5-4-7(2)13-10/h4-5,8,15H,3,6H2,1-2H3,(H2,11,14).
What are the key properties of N'-hydroxy-3-(4-methylpyrimidin-2-yl)sulfanylpentanimidamide?
N'-hydroxy-3-(4-methylpyrimidin-2-yl)sulfanylpentanimidamide has a molecular weight of 240.33 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(4-methylpyrimidin-2-yl)sulfanylpentanimidamide is sourced from PubChem (CID 76937953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).