N'-hydroxy-2-methyl-3-pyrimidin-4-ylsulfanylpropanimidamide

C8H12N4OS — CID 77017384

IUPACN'-hydroxy-2-methyl-3-pyrimidin-4-ylsulfanylpropanimidamide
SMILESCC(CSc1ccncn1)C(N)=NO
InChIInChI=1S/C8H12N4OS/c1-6(8(9)12-13)4-14-7-2-3-10-5-11-7/h2-3,5-6,13H,4H2,1H3,(H2,9,12)
InChIKeyOUUFJCSIEJSHNZ-UHFFFAOYSA-N
MW212.28 g/mol
LogP0.95
Rot. Bonds4

About N'-hydroxy-2-methyl-3-pyrimidin-4-ylsulfanylpropanimidamide

N'-hydroxy-2-methyl-3-pyrimidin-4-ylsulfanylpropanimidamide (PubChem CID 77017384) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-pyrimidin-4-ylsulfanylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-pyrimidin-4-ylsulfanylpropanimidamide
PubChem CID77017384
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC NameN'-hydroxy-2-methyl-3-pyrimidin-4-ylsulfanylpropanimidamide
SMILESCC(CSc1ccncn1)C(N)=NO
InChIInChI=1S/C8H12N4OS/c1-6(8(9)12-13)4-14-7-2-3-10-5-11-7/h2-3,5-6,13H,4H2,1H3,(H2,9,12)
InChIKeyOUUFJCSIEJSHNZ-UHFFFAOYSA-N
XLogP0.95
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 50.95
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

(2R)-1-pyrimidin-4-ylsulfanylpropan-2-ol
CID 106933386
3-[(5-bromo-2-pyridinyl)sulfanyl]-N'-hydroxy-2-methylpropanimidamide
CID 77037125
ethyl 2-methyl-3-pyrimidin-4-ylsulfanylpropanoate
CID 63696552
methyl 2-(propan-2-ylamino)-3-pyrimidin-4-ylsulfanylpropanoate
CID 63695897
2-amino-3-pyrimidin-4-ylsulfanylpropanamide
CID 63695895
2-(cyclopropylamino)-3-pyrimidin-4-ylsulfanylpropanamide
CID 63696968
N'-hydroxy-3-pyrimidin-4-ylsulfanylpentanimidamide
CID 77017400
1-pyrimidin-4-ylsulfanylethanol
CID 54459485
2-(methylamino)-4-pyrimidin-4-ylsulfanylbutanamide
CID 63696076
N'-hydroxy-2,2-dimethyl-5-pyrimidin-4-ylsulfanylpentanimidamide
CID 77064204
2-(cyclopropylamino)-3-pyrimidin-4-ylsulfanylpropanoic acid
CID 63696799
2-(ethylamino)-3-pyrimidin-4-ylsulfanylpropan-1-ol
CID 64808416

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-3-pyrimidin-4-ylsulfanylpropanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-pyrimidin-4-ylsulfanylpropanimidamide (CID 77017384) is N'-hydroxy-2-methyl-3-pyrimidin-4-ylsulfanylpropanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-pyrimidin-4-ylsulfanylpropanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-pyrimidin-4-ylsulfanylpropanimidamide is CC(CSc1ccncn1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-methyl-3-pyrimidin-4-ylsulfanylpropanimidamide?
The InChIKey is OUUFJCSIEJSHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS/c1-6(8(9)12-13)4-14-7-2-3-10-5-11-7/h2-3,5-6,13H,4H2,1H3,(H2,9,12).
What are the key properties of N'-hydroxy-2-methyl-3-pyrimidin-4-ylsulfanylpropanimidamide?
N'-hydroxy-2-methyl-3-pyrimidin-4-ylsulfanylpropanimidamide has a molecular weight of 212.28 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-3-pyrimidin-4-ylsulfanylpropanimidamide is sourced from PubChem (CID 77017384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).