N'-hydroxy-6-methyl-2-[methyl(2-pyridin-2-ylethyl)amino]pyrimidine-4-carboximidamide

C14H18N6O — CID 136906374

IUPACN'-hydroxy-6-methyl-2-[methyl(2-pyridin-2-ylethyl)amino]pyrimidine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)nc(N(C)CCc2ccccn2)n1
InChIInChI=1S/C14H18N6O/c1-10-9-12(13(15)19-21)18-14(17-10)20(2)8-6-11-5-3-4-7-16-11/h3-5,7,9,21H,6,8H2,1-2H3,(H2,15,19)
InChIKeyXHXBHSMCXQWDIH-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.95
Rot. Bonds5

About N'-hydroxy-6-methyl-2-[methyl(2-pyridin-2-ylethyl)amino]pyrimidine-4-carboximidamide

N'-hydroxy-6-methyl-2-[methyl(2-pyridin-2-ylethyl)amino]pyrimidine-4-carboximidamide (PubChem CID 136906374) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is N'-hydroxy-6-methyl-2-[methyl(2-pyridin-2-ylethyl)amino]pyrimidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-methyl-2-[methyl(2-pyridin-2-ylethyl)amino]pyrimidine-4-carboximidamide
PubChem CID136906374
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC NameN'-hydroxy-6-methyl-2-[methyl(2-pyridin-2-ylethyl)amino]pyrimidine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)nc(N(C)CCc2ccccn2)n1
InChIInChI=1S/C14H18N6O/c1-10-9-12(13(15)19-21)18-14(17-10)20(2)8-6-11-5-3-4-7-16-11/h3-5,7,9,21H,6,8H2,1-2H3,(H2,15,19)
InChIKeyXHXBHSMCXQWDIH-UHFFFAOYSA-N
XLogP0.95
TPSA100.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.95
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

N'-hydroxy-5-[methyl(2-pyridin-2-ylethyl)amino]pyridine-2-carboximidamide
CID 136990475
N'-hydroxy-2-[2-methoxyethyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 136986713
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
2-chloro-N'-hydroxy-6-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide
CID 76945369
2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136986706
2-N,6-dimethyl-2-N-(2-pyridin-4-ylethyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919102
3-amino-3-hydroxyimino-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 76926661
N'-hydroxy-2-[methyl(2-pyridin-2-ylethyl)amino]butanimidamide
CID 76915553
(3Z)-3-amino-3-hydroxyimino-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 43156182
N'-hydroxy-2-(2-pyridin-2-ylethoxy)pyrimidine-4-carboximidamide
CID 136907230
2-[benzyl(methyl)amino]-N'-hydroxypyrimidine-4-carboximidamide
CID 136906340

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-methyl-2-[methyl(2-pyridin-2-ylethyl)amino]pyrimidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-6-methyl-2-[methyl(2-pyridin-2-ylethyl)amino]pyrimidine-4-carboximidamide (CID 136906374) is N'-hydroxy-6-methyl-2-[methyl(2-pyridin-2-ylethyl)amino]pyrimidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-methyl-2-[methyl(2-pyridin-2-ylethyl)amino]pyrimidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-6-methyl-2-[methyl(2-pyridin-2-ylethyl)amino]pyrimidine-4-carboximidamide is Cc1cc(/C(N)=N/O)nc(N(C)CCc2ccccn2)n1.
What is the InChIKey of N'-hydroxy-6-methyl-2-[methyl(2-pyridin-2-ylethyl)amino]pyrimidine-4-carboximidamide?
The InChIKey is XHXBHSMCXQWDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-10-9-12(13(15)19-21)18-14(17-10)20(2)8-6-11-5-3-4-7-16-11/h3-5,7,9,21H,6,8H2,1-2H3,(H2,15,19).
What are the key properties of N'-hydroxy-6-methyl-2-[methyl(2-pyridin-2-ylethyl)amino]pyrimidine-4-carboximidamide?
N'-hydroxy-6-methyl-2-[methyl(2-pyridin-2-ylethyl)amino]pyrimidine-4-carboximidamide has a molecular weight of 286.34 g/mol, XLogP of 0.95, 5 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-[methyl(2-pyridin-2-ylethyl)amino]pyrimidine-4-carboximidamide is sourced from PubChem (CID 136906374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).