N'-[(2-methylpyrimidin-4-yl)methyl]morpholine-4-carboximidamide;hydroiodide

C11H18IN5O — CID 119119928

IUPACN'-[(2-methylpyrimidin-4-yl)methyl]morpholine-4-carboximidamide;hydroiodide
SMILESCc1nccc(C/N=C(\N)N2CCOCC2)n1.I
InChIInChI=1S/C11H17N5O.HI/c1-9-13-3-2-10(15-9)8-14-11(12)16-4-6-17-7-5-16;/h2-3H,4-8H2,1H3,(H2,12,14);1H
InChIKeyAXXRQVPDIXSLSF-UHFFFAOYSA-N
MW363.20 g/mol
LogP0.55
Rot. Bonds2

About N'-[(2-methylpyrimidin-4-yl)methyl]morpholine-4-carboximidamide;hydroiodide

N'-[(2-methylpyrimidin-4-yl)methyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 119119928) has the molecular formula C11H18IN5O and a molecular weight of 363.20 g/mol. Its IUPAC name is N'-[(2-methylpyrimidin-4-yl)methyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[(2-methylpyrimidin-4-yl)methyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID119119928
Molecular FormulaC11H18IN5O
Molecular Weight363.20 g/mol
Exact Mass363.06
IUPAC NameN'-[(2-methylpyrimidin-4-yl)methyl]morpholine-4-carboximidamide;hydroiodide
SMILESCc1nccc(C/N=C(\N)N2CCOCC2)n1.I
InChIInChI=1S/C11H17N5O.HI/c1-9-13-3-2-10(15-9)8-14-11(12)16-4-6-17-7-5-16;/h2-3H,4-8H2,1H3,(H2,12,14);1H
InChIKeyAXXRQVPDIXSLSF-UHFFFAOYSA-N
XLogP0.55
TPSA76.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 50.55
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 119119988
N'-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111100700
N'-[(3-methyl-2-pyridinyl)methyl]morpholine-4-carboximidamide
CID 111802374
N'-[[4-(4-fluorophenoxy)-2-pyridinyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 119147247
N'-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]morpholine-4-carboximidamide
CID 111600825
1-(diaminomethylidene)-2-[(2-methylpyrimidin-4-yl)methyl]guanidine
CID 83034076
N'-[(4-tert-butylphenyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111045453
N'-[[4-(diethylaminomethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111036077
N'-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120762698
N'-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)morpholine-4-carboximidamide;hydroiodide
CID 119121254
N'-(imidazo[1,2-a]pyridin-2-ylmethyl)morpholine-4-carboximidamide
CID 111031170
N'-[(2,6-dimethylpyrimidin-4-yl)methyl]azepane-1-carboximidamide;hydroiodide
CID 120913679

Frequently Asked Questions

What is the IUPAC name of N'-[(2-methylpyrimidin-4-yl)methyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[(2-methylpyrimidin-4-yl)methyl]morpholine-4-carboximidamide;hydroiodide (CID 119119928) is N'-[(2-methylpyrimidin-4-yl)methyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[(2-methylpyrimidin-4-yl)methyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[(2-methylpyrimidin-4-yl)methyl]morpholine-4-carboximidamide;hydroiodide is Cc1nccc(C/N=C(\N)N2CCOCC2)n1.I.
What is the InChIKey of N'-[(2-methylpyrimidin-4-yl)methyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is AXXRQVPDIXSLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O.HI/c1-9-13-3-2-10(15-9)8-14-11(12)16-4-6-17-7-5-16;/h2-3H,4-8H2,1H3,(H2,12,14);1H.
What are the key properties of N'-[(2-methylpyrimidin-4-yl)methyl]morpholine-4-carboximidamide;hydroiodide?
N'-[(2-methylpyrimidin-4-yl)methyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 363.20 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-methylpyrimidin-4-yl)methyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 119119928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).