N'-hydroxy-3-pyrimidin-4-ylsulfanylpentanimidamide

C9H14N4OS — CID 77017400

IUPACN'-hydroxy-3-pyrimidin-4-ylsulfanylpentanimidamide
SMILESCCC(CC(N)=NO)Sc1ccncn1
InChIInChI=1S/C9H14N4OS/c1-2-7(5-8(10)13-14)15-9-3-4-11-6-12-9/h3-4,6-7,14H,2,5H2,1H3,(H2,10,13)
InChIKeyDKLALIPUADQGMQ-UHFFFAOYSA-N
MW226.31 g/mol
LogP1.48
Rot. Bonds5

About N'-hydroxy-3-pyrimidin-4-ylsulfanylpentanimidamide

N'-hydroxy-3-pyrimidin-4-ylsulfanylpentanimidamide (PubChem CID 77017400) has the molecular formula C9H14N4OS and a molecular weight of 226.31 g/mol. Its IUPAC name is N'-hydroxy-3-pyrimidin-4-ylsulfanylpentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-pyrimidin-4-ylsulfanylpentanimidamide
PubChem CID77017400
Molecular FormulaC9H14N4OS
Molecular Weight226.31 g/mol
Exact Mass226.09
IUPAC NameN'-hydroxy-3-pyrimidin-4-ylsulfanylpentanimidamide
SMILESCCC(CC(N)=NO)Sc1ccncn1
InChIInChI=1S/C9H14N4OS/c1-2-7(5-8(10)13-14)15-9-3-4-11-6-12-9/h3-4,6-7,14H,2,5H2,1H3,(H2,10,13)
InChIKeyDKLALIPUADQGMQ-UHFFFAOYSA-N
XLogP1.48
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.31
LogP ≤ 51.48
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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Related Compounds

3-pyrimidin-4-ylsulfanylpentanimidamide
CID 63695864
N'-hydroxy-3-pyrimidin-2-ylsulfanylpentanimidamide
CID 43175408
N'-hydroxy-3-(4-methylpyrimidin-2-yl)sulfanylpentanimidamide
CID 76937953
N'-hydroxy-2-methyl-3-pyrimidin-4-ylsulfanylpropanimidamide
CID 77017384
2-pyrimidin-4-ylsulfanylbutanehydrazide
CID 63697154
N'-hydroxy-3-(4-propan-2-ylphenyl)sulfanylpentanimidamide
CID 43368988
1-pyrimidin-4-ylsulfanylethanol
CID 54459485
N'-hydroxy-2-pyrimidin-4-ylethanimidamide
CID 83872565
N-methyl-2-pyrimidin-4-ylsulfanylpentan-3-amine
CID 64627855
N'-hydroxy-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pentanimidamide
CID 61345287
3-pyrimidin-4-ylsulfanylbutanehydrazide
CID 63696626
N'-hydroxy-3-(4-methylsulfonylphenyl)sulfanylpentanimidamide
CID 76988584

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-pyrimidin-4-ylsulfanylpentanimidamide?
The IUPAC name of N'-hydroxy-3-pyrimidin-4-ylsulfanylpentanimidamide (CID 77017400) is N'-hydroxy-3-pyrimidin-4-ylsulfanylpentanimidamide.
What is the SMILES notation for N'-hydroxy-3-pyrimidin-4-ylsulfanylpentanimidamide?
The canonical SMILES for N'-hydroxy-3-pyrimidin-4-ylsulfanylpentanimidamide is CCC(CC(N)=NO)Sc1ccncn1.
What is the InChIKey of N'-hydroxy-3-pyrimidin-4-ylsulfanylpentanimidamide?
The InChIKey is DKLALIPUADQGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-2-7(5-8(10)13-14)15-9-3-4-11-6-12-9/h3-4,6-7,14H,2,5H2,1H3,(H2,10,13).
What are the key properties of N'-hydroxy-3-pyrimidin-4-ylsulfanylpentanimidamide?
N'-hydroxy-3-pyrimidin-4-ylsulfanylpentanimidamide has a molecular weight of 226.31 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-pyrimidin-4-ylsulfanylpentanimidamide is sourced from PubChem (CID 77017400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).