N'-hydroxy-2-[2-methoxyethyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide

C10H17N5O2 — CID 136986713

IUPACN'-hydroxy-2-[2-methoxyethyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide
SMILESCOCCN(C)c1nc(C)cc(/C(N)=N/O)n1
InChIInChI=1S/C10H17N5O2/c1-7-6-8(9(11)14-16)13-10(12-7)15(2)4-5-17-3/h6,16H,4-5H2,1-3H3,(H2,11,14)
InChIKeyLROWUGLHYXUVLD-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.04
Rot. Bonds5

About N'-hydroxy-2-[2-methoxyethyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide

N'-hydroxy-2-[2-methoxyethyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide (PubChem CID 136986713) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is N'-hydroxy-2-[2-methoxyethyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[2-methoxyethyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide
PubChem CID136986713
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC NameN'-hydroxy-2-[2-methoxyethyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide
SMILESCOCCN(C)c1nc(C)cc(/C(N)=N/O)n1
InChIInChI=1S/C10H17N5O2/c1-7-6-8(9(11)14-16)13-10(12-7)15(2)4-5-17-3/h6,16H,4-5H2,1-3H3,(H2,11,14)
InChIKeyLROWUGLHYXUVLD-UHFFFAOYSA-N
XLogP-0.04
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.04
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

2-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136906555
N'-hydroxy-6-methyl-2-[methyl(2-methylpropyl)amino]pyrimidine-4-carboximidamide
CID 136635931
2-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136986756
N'-hydroxy-6-methyl-2-[methyl(2-pyridin-2-ylethyl)amino]pyrimidine-4-carboximidamide
CID 136906374
2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136986706
2-[3-(dimethylamino)propoxy]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136907295
2-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136906614
2-[cyclopropyl(ethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136906390
6-methyl-2-[methyl(2-propan-2-yloxyethyl)amino]pyrimidine-4-carboximidamide
CID 107550627
N'-hydroxy-2-[2-hydroxyethyl(2-methoxyethyl)amino]pyrimidine-4-carboximidamide
CID 136906918
N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-4,6-dimethylpyridine-3-carboximidamide
CID 82951763
2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136906591

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[2-methoxyethyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-2-[2-methoxyethyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide (CID 136986713) is N'-hydroxy-2-[2-methoxyethyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-[2-methoxyethyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-2-[2-methoxyethyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide is COCCN(C)c1nc(C)cc(/C(N)=N/O)n1.
What is the InChIKey of N'-hydroxy-2-[2-methoxyethyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide?
The InChIKey is LROWUGLHYXUVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-7-6-8(9(11)14-16)13-10(12-7)15(2)4-5-17-3/h6,16H,4-5H2,1-3H3,(H2,11,14).
What are the key properties of N'-hydroxy-2-[2-methoxyethyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide?
N'-hydroxy-2-[2-methoxyethyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide has a molecular weight of 239.28 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[2-methoxyethyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide is sourced from PubChem (CID 136986713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).