N'-(4,6-dimethylpyrimidin-2-yl)morpholine-4-carboximidamide;hydrochloride

C11H18ClN5O — CID 126476570

IUPACN'-(4,6-dimethylpyrimidin-2-yl)morpholine-4-carboximidamide;hydrochloride
SMILESCc1cc(C)nc(/N=C(\N)N2CCOCC2)n1.Cl
InChIInChI=1S/C11H17N5O.ClH/c1-8-7-9(2)14-11(13-8)15-10(12)16-3-5-17-6-4-16;/h7H,3-6H2,1-2H3,(H2,12,13,14,15);1H
InChIKeyDGYXVYKQLGLOQQ-UHFFFAOYSA-N
MW271.75 g/mol
LogP0.79
Rot. Bonds1

About N'-(4,6-dimethylpyrimidin-2-yl)morpholine-4-carboximidamide;hydrochloride

N'-(4,6-dimethylpyrimidin-2-yl)morpholine-4-carboximidamide;hydrochloride (PubChem CID 126476570) has the molecular formula C11H18ClN5O and a molecular weight of 271.75 g/mol. Its IUPAC name is N'-(4,6-dimethylpyrimidin-2-yl)morpholine-4-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN'-(4,6-dimethylpyrimidin-2-yl)morpholine-4-carboximidamide;hydrochloride
PubChem CID126476570
Molecular FormulaC11H18ClN5O
Molecular Weight271.75 g/mol
Exact Mass271.12
IUPAC NameN'-(4,6-dimethylpyrimidin-2-yl)morpholine-4-carboximidamide;hydrochloride
SMILESCc1cc(C)nc(/N=C(\N)N2CCOCC2)n1.Cl
InChIInChI=1S/C11H17N5O.ClH/c1-8-7-9(2)14-11(13-8)15-10(12)16-3-5-17-6-4-16;/h7H,3-6H2,1-2H3,(H2,12,13,14,15);1H
InChIKeyDGYXVYKQLGLOQQ-UHFFFAOYSA-N
XLogP0.79
TPSA76.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(4-chloro-6-methylpyrimidin-2-yl)pyrrolidine-1-carboximidamide
CID 43827118
N'-[(2,5-dimethylpyrazol-3-yl)methyl]morpholine-4-carboximidamide
CID 120913510
N'-[4-(2-hydroxyphenyl)-6-phenylpyrimidin-2-yl]morpholine-4-carboximidamide
CID 135468143
1-[(Z)-N-(4,6-dimethylpyrimidin-2-yl)-C-morpholin-4-ylcarbonimidoyl]-3-(4-methylphenyl)urea
CID 135771520
2-(4-methyl-7-morpholin-4-ylquinazolin-2-yl)guanidine
CID 155436329
2-(4,6-dimethylpyrimidin-2-yl)-1-(4-methylpiperazin-1-yl)guanidine
CID 606306
N'-(5-tert-butyl-1,3-oxazol-2-yl)morpholine-4-carboximidamide
CID 159083595
N'-[(2-methylpyrimidin-4-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 119119928
N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 119119988
(2-hydrazinyl-6-methyl-4-pyridinyl)-morpholin-4-ylmethanone
CID 70843948
2-(4,6-dimethylpyrimidin-2-yl)-1-(4-methylpiperazin-4-ium-1-yl)guanidine chloride
CID 44656037
(3R)-N'-(4,6-dimethylpyrimidin-2-yl)-3-phenyl-3,4-dihydropyrazole-2-carboximidamide
CID 41001713

Frequently Asked Questions

What is the IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)morpholine-4-carboximidamide;hydrochloride?
The IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)morpholine-4-carboximidamide;hydrochloride (CID 126476570) is N'-(4,6-dimethylpyrimidin-2-yl)morpholine-4-carboximidamide;hydrochloride.
What is the SMILES notation for N'-(4,6-dimethylpyrimidin-2-yl)morpholine-4-carboximidamide;hydrochloride?
The canonical SMILES for N'-(4,6-dimethylpyrimidin-2-yl)morpholine-4-carboximidamide;hydrochloride is Cc1cc(C)nc(/N=C(\N)N2CCOCC2)n1.Cl.
What is the InChIKey of N'-(4,6-dimethylpyrimidin-2-yl)morpholine-4-carboximidamide;hydrochloride?
The InChIKey is DGYXVYKQLGLOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O.ClH/c1-8-7-9(2)14-11(13-8)15-10(12)16-3-5-17-6-4-16;/h7H,3-6H2,1-2H3,(H2,12,13,14,15);1H.
What are the key properties of N'-(4,6-dimethylpyrimidin-2-yl)morpholine-4-carboximidamide;hydrochloride?
N'-(4,6-dimethylpyrimidin-2-yl)morpholine-4-carboximidamide;hydrochloride has a molecular weight of 271.75 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,6-dimethylpyrimidin-2-yl)morpholine-4-carboximidamide;hydrochloride is sourced from PubChem (CID 126476570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).