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

C12H19N5O2 — CID 136906555

IUPAC2-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
SMILESCOCCN(c1nc(C)cc(/C(N)=N/O)n1)C1CC1
InChIInChI=1S/C12H19N5O2/c1-8-7-10(11(13)16-18)15-12(14-8)17(5-6-19-2)9-3-4-9/h7,9,18H,3-6H2,1-2H3,(H2,13,16)
InChIKeyXSRDQTCFNQZQPJ-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.49
Rot. Bonds6

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

2-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide (PubChem CID 136906555) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
PubChem CID136906555
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name2-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
SMILESCOCCN(c1nc(C)cc(/C(N)=N/O)n1)C1CC1
InChIInChI=1S/C12H19N5O2/c1-8-7-10(11(13)16-18)15-12(14-8)17(5-6-19-2)9-3-4-9/h7,9,18H,3-6H2,1-2H3,(H2,13,16)
InChIKeyXSRDQTCFNQZQPJ-UHFFFAOYSA-N
XLogP0.49
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.49
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(ethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136906390
N'-hydroxy-2-[2-methoxyethyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 136986713
2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136906591
2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136906520
3-[cyclopropyl-(4,6-dimethylpyrimidin-2-yl)amino]-N'-hydroxypropanimidamide
CID 54997535
[2-[cyclopropyl(2-methoxyethyl)amino]-6-methyl-4-pyridinyl]methanol
CID 113378741
2-[cyclopropyl(propyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550138
2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136986706
N'-hydroxy-6-methyl-2-[methyl(2-methylpropyl)amino]pyrimidine-4-carboximidamide
CID 136635931
[2-[cyclopropyl(2-methoxyethyl)amino]-4,6-dimethyl-3-pyridinyl]methanol
CID 54946432
2-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136986756
3-[cyclopropyl-(4,6-dimethylpyrimidin-2-yl)amino]propanimidamide
CID 54997310

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide?
The IUPAC name of 2-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide (CID 136906555) is 2-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide.
What is the SMILES notation for 2-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide?
The canonical SMILES for 2-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide is COCCN(c1nc(C)cc(/C(N)=N/O)n1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide?
The InChIKey is XSRDQTCFNQZQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-8-7-10(11(13)16-18)15-12(14-8)17(5-6-19-2)9-3-4-9/h7,9,18H,3-6H2,1-2H3,(H2,13,16).
What are the key properties of 2-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide?
2-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide has a molecular weight of 265.32 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide is sourced from PubChem (CID 136906555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).