N'-hydroxy-6-methyl-2-(1-methylpyrazol-4-yl)oxypyrimidine-4-carboximidamide

C10H12N6O2 — CID 136907445

IUPACN'-hydroxy-6-methyl-2-(1-methylpyrazol-4-yl)oxypyrimidine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)nc(Oc2cnn(C)c2)n1
InChIInChI=1S/C10H12N6O2/c1-6-3-8(9(11)15-17)14-10(13-6)18-7-4-12-16(2)5-7/h3-5,17H,1-2H3,(H2,11,15)
InChIKeySRUXAWLVJRHZSS-UHFFFAOYSA-N
MW248.25 g/mol
LogP0.41
Rot. Bonds3

About N'-hydroxy-6-methyl-2-(1-methylpyrazol-4-yl)oxypyrimidine-4-carboximidamide

N'-hydroxy-6-methyl-2-(1-methylpyrazol-4-yl)oxypyrimidine-4-carboximidamide (PubChem CID 136907445) has the molecular formula C10H12N6O2 and a molecular weight of 248.25 g/mol. Its IUPAC name is N'-hydroxy-6-methyl-2-(1-methylpyrazol-4-yl)oxypyrimidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-methyl-2-(1-methylpyrazol-4-yl)oxypyrimidine-4-carboximidamide
PubChem CID136907445
Molecular FormulaC10H12N6O2
Molecular Weight248.25 g/mol
Exact Mass248.10
IUPAC NameN'-hydroxy-6-methyl-2-(1-methylpyrazol-4-yl)oxypyrimidine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)nc(Oc2cnn(C)c2)n1
InChIInChI=1S/C10H12N6O2/c1-6-3-8(9(11)15-17)14-10(13-6)18-7-4-12-16(2)5-7/h3-5,17H,1-2H3,(H2,11,15)
InChIKeySRUXAWLVJRHZSS-UHFFFAOYSA-N
XLogP0.41
TPSA111.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

2-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136907156
N'-hydroxy-2-(2-methoxyphenoxy)-6-methylpyrimidine-4-carboximidamide
CID 136907097
N'-hydroxy-6-methyl-2-(2,3,5-trimethylphenoxy)pyrimidine-4-carboximidamide
CID 136907204
N'-hydroxy-6-methyl-2-(2-methylbutan-2-yloxy)pyrimidine-4-carboximidamide
CID 136907221
2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 116801421
2-[3-(dimethylamino)propoxy]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136907295
2-(2-butoxyethoxy)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136907212
N,4-dimethyl-6-(1-methylpyrazol-4-yl)oxypyrimidin-2-amine
CID 116794381
6-(1-ethylpyrazol-4-yl)oxy-N'-hydroxypyridine-2-carboximidamide
CID 136932336
N'-hydroxy-6-methyl-2-(3-pyridin-4-ylpropoxy)pyrimidine-4-carboximidamide
CID 136907231
2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 116801422
2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxypyrimidine-4-carboximidamide
CID 136986806

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-methyl-2-(1-methylpyrazol-4-yl)oxypyrimidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-6-methyl-2-(1-methylpyrazol-4-yl)oxypyrimidine-4-carboximidamide (CID 136907445) is N'-hydroxy-6-methyl-2-(1-methylpyrazol-4-yl)oxypyrimidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-methyl-2-(1-methylpyrazol-4-yl)oxypyrimidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-6-methyl-2-(1-methylpyrazol-4-yl)oxypyrimidine-4-carboximidamide is Cc1cc(/C(N)=N/O)nc(Oc2cnn(C)c2)n1.
What is the InChIKey of N'-hydroxy-6-methyl-2-(1-methylpyrazol-4-yl)oxypyrimidine-4-carboximidamide?
The InChIKey is SRUXAWLVJRHZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2/c1-6-3-8(9(11)15-17)14-10(13-6)18-7-4-12-16(2)5-7/h3-5,17H,1-2H3,(H2,11,15).
What are the key properties of N'-hydroxy-6-methyl-2-(1-methylpyrazol-4-yl)oxypyrimidine-4-carboximidamide?
N'-hydroxy-6-methyl-2-(1-methylpyrazol-4-yl)oxypyrimidine-4-carboximidamide has a molecular weight of 248.25 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-methyl-2-(1-methylpyrazol-4-yl)oxypyrimidine-4-carboximidamide is sourced from PubChem (CID 136907445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).