N'-hydroxy-2,2-dimethyl-5-pyrimidin-4-ylsulfanylpentanimidamide

C11H18N4OS — CID 77064204

IUPACN'-hydroxy-2,2-dimethyl-5-pyrimidin-4-ylsulfanylpentanimidamide
SMILESCC(C)(CCCSc1ccncn1)C(N)=NO
InChIInChI=1S/C11H18N4OS/c1-11(2,10(12)15-16)5-3-7-17-9-4-6-13-8-14-9/h4,6,8,16H,3,5,7H2,1-2H3,(H2,12,15)
InChIKeyRQEUFYGRUZVINY-UHFFFAOYSA-N
MW254.36 g/mol
LogP2.12
Rot. Bonds6

About N'-hydroxy-2,2-dimethyl-5-pyrimidin-4-ylsulfanylpentanimidamide

N'-hydroxy-2,2-dimethyl-5-pyrimidin-4-ylsulfanylpentanimidamide (PubChem CID 77064204) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-5-pyrimidin-4-ylsulfanylpentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-5-pyrimidin-4-ylsulfanylpentanimidamide
PubChem CID77064204
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC NameN'-hydroxy-2,2-dimethyl-5-pyrimidin-4-ylsulfanylpentanimidamide
SMILESCC(C)(CCCSc1ccncn1)C(N)=NO
InChIInChI=1S/C11H18N4OS/c1-11(2,10(12)15-16)5-3-7-17-9-4-6-13-8-14-9/h4,6,8,16H,3,5,7H2,1-2H3,(H2,12,15)
InChIKeyRQEUFYGRUZVINY-UHFFFAOYSA-N
XLogP2.12
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Related Compounds

N'-hydroxy-2,2-dimethyl-5-pyrimidin-2-ylsulfanylpentanimidamide
CID 77063459
N'-hydroxy-2,2-dimethyl-5-phenylsulfanylpentanimidamide
CID 77063342
2-(cyclopropylamino)-2-methyl-5-pyrimidin-4-ylsulfanylpentanamide
CID 63696970
5-(2,5-difluorophenyl)sulfanyl-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063344
2-(ethylamino)-2-methyl-6-pyrimidin-4-ylsulfanylhexanamide
CID 55227870
4-pyrimidin-4-ylsulfanylbutan-1-amine
CID 63698533
N'-hydroxy-2-methyl-3-pyrimidin-4-ylsulfanylpropanimidamide
CID 77017384
N'-hydroxy-2,2-dimethyl-5-naphthalen-2-ylsulfanylpentanimidamide
CID 77063369
2-(ethylamino)-2-methyl-4-pyrimidin-4-ylsulfanylbutanamide
CID 63697844
ethyl 2-amino-2-methyl-4-pyrimidin-4-ylsulfanylbutanoate
CID 63698194
N'-hydroxy-2,2-dimethyl-5-(pyridin-4-ylmethylamino)pentanimidamide
CID 77063966
N-ethyl-3-pyrimidin-4-ylsulfanylpropan-1-amine
CID 63698184

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-5-pyrimidin-4-ylsulfanylpentanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-5-pyrimidin-4-ylsulfanylpentanimidamide (CID 77064204) is N'-hydroxy-2,2-dimethyl-5-pyrimidin-4-ylsulfanylpentanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-5-pyrimidin-4-ylsulfanylpentanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-5-pyrimidin-4-ylsulfanylpentanimidamide is CC(C)(CCCSc1ccncn1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-5-pyrimidin-4-ylsulfanylpentanimidamide?
The InChIKey is RQEUFYGRUZVINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-11(2,10(12)15-16)5-3-7-17-9-4-6-13-8-14-9/h4,6,8,16H,3,5,7H2,1-2H3,(H2,12,15).
What are the key properties of N'-hydroxy-2,2-dimethyl-5-pyrimidin-4-ylsulfanylpentanimidamide?
N'-hydroxy-2,2-dimethyl-5-pyrimidin-4-ylsulfanylpentanimidamide has a molecular weight of 254.36 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-5-pyrimidin-4-ylsulfanylpentanimidamide is sourced from PubChem (CID 77064204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).