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

C11H18N4OS — CID 77063459

IUPACN'-hydroxy-2,2-dimethyl-5-pyrimidin-2-ylsulfanylpentanimidamide
SMILESCC(C)(CCCSc1ncccn1)C(N)=NO
InChIInChI=1S/C11H18N4OS/c1-11(2,9(12)15-16)5-3-8-17-10-13-6-4-7-14-10/h4,6-7,16H,3,5,8H2,1-2H3,(H2,12,15)
InChIKeyMCSRUPRPOATBKK-UHFFFAOYSA-N
MW254.36 g/mol
LogP2.12
Rot. Bonds6

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

N'-hydroxy-2,2-dimethyl-5-pyrimidin-2-ylsulfanylpentanimidamide (PubChem CID 77063459) 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-2-ylsulfanylpentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-5-pyrimidin-2-ylsulfanylpentanimidamide
PubChem CID77063459
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC NameN'-hydroxy-2,2-dimethyl-5-pyrimidin-2-ylsulfanylpentanimidamide
SMILESCC(C)(CCCSc1ncccn1)C(N)=NO
InChIInChI=1S/C11H18N4OS/c1-11(2,9(12)15-16)5-3-8-17-10-13-6-4-7-14-10/h4,6-7,16H,3,5,8H2,1-2H3,(H2,12,15)
InChIKeyMCSRUPRPOATBKK-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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-5-pyrimidin-2-ylsulfanylpentanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-5-pyrimidin-2-ylsulfanylpentanimidamide (CID 77063459) is N'-hydroxy-2,2-dimethyl-5-pyrimidin-2-ylsulfanylpentanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-5-pyrimidin-2-ylsulfanylpentanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-5-pyrimidin-2-ylsulfanylpentanimidamide is CC(C)(CCCSc1ncccn1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-5-pyrimidin-2-ylsulfanylpentanimidamide?
The InChIKey is MCSRUPRPOATBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-11(2,9(12)15-16)5-3-8-17-10-13-6-4-7-14-10/h4,6-7,16H,3,5,8H2,1-2H3,(H2,12,15).
What are the key properties of N'-hydroxy-2,2-dimethyl-5-pyrimidin-2-ylsulfanylpentanimidamide?
N'-hydroxy-2,2-dimethyl-5-pyrimidin-2-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-2-ylsulfanylpentanimidamide is sourced from PubChem (CID 77063459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).