5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-hydroxypyridine-2-carboximidamide

C12H13N5OS — CID 136990975

IUPAC5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-hydroxypyridine-2-carboximidamide
SMILESCc1cc(C)nc(Sc2ccc(/C(N)=N/O)nc2)n1
InChIInChI=1S/C12H13N5OS/c1-7-5-8(2)16-12(15-7)19-9-3-4-10(14-6-9)11(13)17-18/h3-6,18H,1-2H3,(H2,13,17)
InChIKeyAQBCFAVNPRQLNB-UHFFFAOYSA-N
MW275.34 g/mol
LogP1.73
Rot. Bonds3

About 5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-hydroxypyridine-2-carboximidamide

5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-hydroxypyridine-2-carboximidamide (PubChem CID 136990975) has the molecular formula C12H13N5OS and a molecular weight of 275.34 g/mol. Its IUPAC name is 5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-hydroxypyridine-2-carboximidamide
PubChem CID136990975
Molecular FormulaC12H13N5OS
Molecular Weight275.34 g/mol
Exact Mass275.08
IUPAC Name5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-hydroxypyridine-2-carboximidamide
SMILESCc1cc(C)nc(Sc2ccc(/C(N)=N/O)nc2)n1
InChIInChI=1S/C12H13N5OS/c1-7-5-8(2)16-12(15-7)19-9-3-4-10(14-6-9)11(13)17-18/h3-6,18H,1-2H3,(H2,13,17)
InChIKeyAQBCFAVNPRQLNB-UHFFFAOYSA-N
XLogP1.73
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

5-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-2-carboximidamide
CID 113321389
N'-hydroxy-5-phenylsulfanylpyridine-2-carboximidamide
CID 136990925
N'-hydroxy-6-methyl-2-(4-propan-2-ylphenyl)sulfanylpyrimidine-4-carboximidamide
CID 136678340
N'-hydroxy-5-propan-2-ylsulfanylpyridine-2-carboximidamide
CID 136990967
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013920
N'-hydroxy-6-methyl-2-(2-methylfuran-3-yl)sulfanylpyrimidine-4-carboximidamide
CID 136778518
N'-hydroxy-6-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidine-4-carboximidamide
CID 136678332
N'-hydroxy-6-methyl-2-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidine-4-carboximidamide
CID 136678498
1-[5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]propan-1-ol
CID 112586531
1-[5-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]ethanone
CID 83119888
2-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxypyrimidine-4-carboximidamide
CID 136678433
N'-hydroxy-5-methoxypyridine-2-carboximidamide
CID 135743705

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-hydroxypyridine-2-carboximidamide (CID 136990975) is 5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-hydroxypyridine-2-carboximidamide is Cc1cc(C)nc(Sc2ccc(/C(N)=N/O)nc2)n1.
What is the InChIKey of 5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is AQBCFAVNPRQLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5OS/c1-7-5-8(2)16-12(15-7)19-9-3-4-10(14-6-9)11(13)17-18/h3-6,18H,1-2H3,(H2,13,17).
What are the key properties of 5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-hydroxypyridine-2-carboximidamide?
5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-hydroxypyridine-2-carboximidamide has a molecular weight of 275.34 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 136990975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).