N'-[4-(2-hydroxyphenyl)-6-phenylpyrimidin-2-yl]morpholine-4-carboximidamide

C21H21N5O2 — CID 135468143

IUPACN'-[4-(2-hydroxyphenyl)-6-phenylpyrimidin-2-yl]morpholine-4-carboximidamide
SMILESN/C(=N\c1nc(-c2ccccc2)cc(-c2ccccc2O)n1)N1CCOCC1
InChIInChI=1S/C21H21N5O2/c22-20(26-10-12-28-13-11-26)25-21-23-17(15-6-2-1-3-7-15)14-18(24-21)16-8-4-5-9-19(16)27/h1-9,14,27H,10-13H2,(H2,22,23,24,25)
InChIKeyWHBNUNMKQMGUSX-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.79
Rot. Bonds3

About N'-[4-(2-hydroxyphenyl)-6-phenylpyrimidin-2-yl]morpholine-4-carboximidamide

N'-[4-(2-hydroxyphenyl)-6-phenylpyrimidin-2-yl]morpholine-4-carboximidamide (PubChem CID 135468143) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N'-[4-(2-hydroxyphenyl)-6-phenylpyrimidin-2-yl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[4-(2-hydroxyphenyl)-6-phenylpyrimidin-2-yl]morpholine-4-carboximidamide
PubChem CID135468143
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN'-[4-(2-hydroxyphenyl)-6-phenylpyrimidin-2-yl]morpholine-4-carboximidamide
SMILESN/C(=N\c1nc(-c2ccccc2)cc(-c2ccccc2O)n1)N1CCOCC1
InChIInChI=1S/C21H21N5O2/c22-20(26-10-12-28-13-11-26)25-21-23-17(15-6-2-1-3-7-15)14-18(24-21)16-8-4-5-9-19(16)27/h1-9,14,27H,10-13H2,(H2,22,23,24,25)
InChIKeyWHBNUNMKQMGUSX-UHFFFAOYSA-N
XLogP2.79
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-[6-(4-bromophenyl)-2-morpholin-4-ylpyrimidin-4-yl]phenol
CID 1110902
N'-(4,6-dimethylpyrimidin-2-yl)morpholine-4-carboximidamide;hydrochloride
CID 126476570
4-[4-(2-methoxyphenyl)-6-phenylpyrimidin-2-yl]morpholine
CID 909883
N'-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1H-imidazol-2-yl]morpholine-4-carboximidamide
CID 142073733
[3-(2-amino-6-phenylpyrimidin-4-yl)phenyl] morpholine-4-carboxylate
CID 127036830
N'-[3-[1-(4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide
CID 54149386
2-(5-methoxy-2-phenylphenyl)-1,1-dimethylguanidine;N'-(5-methoxy-2-phenylphenyl)morpholine-4-carboximidamide;N'-(2-phenylphenyl)morpholine-4-carboximidamide
CID 157157846
N'-[5-[2-(3-fluoro-4-phenylphenyl)ethyl]-4-methyl-1,2-oxazol-3-yl]morpholine-4-carboximidamide
CID 70080824
N'-[(5-phenylfuran-2-yl)methyl]morpholine-4-carboximidamide
CID 119119031
N'-[5-[2-(3-fluoro-4-phenylphenyl)propyl]-1,2-oxazol-3-yl]morpholine-4-carboximidamide
CID 70083311
bis(2,5-diphenylbenzene-1,4-diol);bis(1-morpholin-4-yl-2-phenylethane-1,2-dione)
CID 139194609
N'-[[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]methyl]morpholine-4-carboximidamide
CID 54302665

Frequently Asked Questions

What is the IUPAC name of N'-[4-(2-hydroxyphenyl)-6-phenylpyrimidin-2-yl]morpholine-4-carboximidamide?
The IUPAC name of N'-[4-(2-hydroxyphenyl)-6-phenylpyrimidin-2-yl]morpholine-4-carboximidamide (CID 135468143) is N'-[4-(2-hydroxyphenyl)-6-phenylpyrimidin-2-yl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[4-(2-hydroxyphenyl)-6-phenylpyrimidin-2-yl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[4-(2-hydroxyphenyl)-6-phenylpyrimidin-2-yl]morpholine-4-carboximidamide is N/C(=N\c1nc(-c2ccccc2)cc(-c2ccccc2O)n1)N1CCOCC1.
What is the InChIKey of N'-[4-(2-hydroxyphenyl)-6-phenylpyrimidin-2-yl]morpholine-4-carboximidamide?
The InChIKey is WHBNUNMKQMGUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c22-20(26-10-12-28-13-11-26)25-21-23-17(15-6-2-1-3-7-15)14-18(24-21)16-8-4-5-9-19(16)27/h1-9,14,27H,10-13H2,(H2,22,23,24,25).
What are the key properties of N'-[4-(2-hydroxyphenyl)-6-phenylpyrimidin-2-yl]morpholine-4-carboximidamide?
N'-[4-(2-hydroxyphenyl)-6-phenylpyrimidin-2-yl]morpholine-4-carboximidamide has a molecular weight of 375.43 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2-hydroxyphenyl)-6-phenylpyrimidin-2-yl]morpholine-4-carboximidamide is sourced from PubChem (CID 135468143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).