N'-hydroxy-6-methyl-2-(2-methylfuran-3-yl)sulfanylpyrimidine-4-carboximidamide

C11H12N4O2S — CID 136778518

IUPACN'-hydroxy-6-methyl-2-(2-methylfuran-3-yl)sulfanylpyrimidine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)nc(Sc2ccoc2C)n1
InChIInChI=1S/C11H12N4O2S/c1-6-5-8(10(12)15-16)14-11(13-6)18-9-3-4-17-7(9)2/h3-5,16H,1-2H3,(H2,12,15)
InChIKeyRKCLMFKNTPHOOF-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.93
Rot. Bonds3

About N'-hydroxy-6-methyl-2-(2-methylfuran-3-yl)sulfanylpyrimidine-4-carboximidamide

N'-hydroxy-6-methyl-2-(2-methylfuran-3-yl)sulfanylpyrimidine-4-carboximidamide (PubChem CID 136778518) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is N'-hydroxy-6-methyl-2-(2-methylfuran-3-yl)sulfanylpyrimidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-methyl-2-(2-methylfuran-3-yl)sulfanylpyrimidine-4-carboximidamide
PubChem CID136778518
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC NameN'-hydroxy-6-methyl-2-(2-methylfuran-3-yl)sulfanylpyrimidine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)nc(Sc2ccoc2C)n1
InChIInChI=1S/C11H12N4O2S/c1-6-5-8(10(12)15-16)14-11(13-6)18-9-3-4-17-7(9)2/h3-5,16H,1-2H3,(H2,12,15)
InChIKeyRKCLMFKNTPHOOF-UHFFFAOYSA-N
XLogP1.93
TPSA97.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.93
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-methyl-2-(2-methylfuran-3-yl)sulfanylpyrimidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-6-methyl-2-(2-methylfuran-3-yl)sulfanylpyrimidine-4-carboximidamide (CID 136778518) is N'-hydroxy-6-methyl-2-(2-methylfuran-3-yl)sulfanylpyrimidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-methyl-2-(2-methylfuran-3-yl)sulfanylpyrimidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-6-methyl-2-(2-methylfuran-3-yl)sulfanylpyrimidine-4-carboximidamide is Cc1cc(/C(N)=N/O)nc(Sc2ccoc2C)n1.
What is the InChIKey of N'-hydroxy-6-methyl-2-(2-methylfuran-3-yl)sulfanylpyrimidine-4-carboximidamide?
The InChIKey is RKCLMFKNTPHOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-6-5-8(10(12)15-16)14-11(13-6)18-9-3-4-17-7(9)2/h3-5,16H,1-2H3,(H2,12,15).
What are the key properties of N'-hydroxy-6-methyl-2-(2-methylfuran-3-yl)sulfanylpyrimidine-4-carboximidamide?
N'-hydroxy-6-methyl-2-(2-methylfuran-3-yl)sulfanylpyrimidine-4-carboximidamide has a molecular weight of 264.31 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-methyl-2-(2-methylfuran-3-yl)sulfanylpyrimidine-4-carboximidamide is sourced from PubChem (CID 136778518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).