2-[4-[[(4,6-dimethylpyrimidin-2-yl)diazenyl]methyl]phenoxy]-1-morpholin-4-ylethanone

C19H23N5O3 — CID 170920910

IUPAC2-[4-[[(4,6-dimethylpyrimidin-2-yl)diazenyl]methyl]phenoxy]-1-morpholin-4-ylethanone
SMILESCc1cc(C)nc(/N=N/Cc2ccc(OCC(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C19H23N5O3/c1-14-11-15(2)22-19(21-14)23-20-12-16-3-5-17(6-4-16)27-13-18(25)24-7-9-26-10-8-24/h3-6,11H,7-10,12-13H2,1-2H3/b23-20+
InChIKeyPWHYAUKSZOYKLA-BSYVCWPDSA-N
MW369.43 g/mol
LogP2.61
Rot. Bonds6

About 2-[4-[[(4,6-dimethylpyrimidin-2-yl)diazenyl]methyl]phenoxy]-1-morpholin-4-ylethanone

2-[4-[[(4,6-dimethylpyrimidin-2-yl)diazenyl]methyl]phenoxy]-1-morpholin-4-ylethanone (PubChem CID 170920910) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 2-[4-[[(4,6-dimethylpyrimidin-2-yl)diazenyl]methyl]phenoxy]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-[[(4,6-dimethylpyrimidin-2-yl)diazenyl]methyl]phenoxy]-1-morpholin-4-ylethanone
PubChem CID170920910
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name2-[4-[[(4,6-dimethylpyrimidin-2-yl)diazenyl]methyl]phenoxy]-1-morpholin-4-ylethanone
SMILESCc1cc(C)nc(/N=N/Cc2ccc(OCC(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C19H23N5O3/c1-14-11-15(2)22-19(21-14)23-20-12-16-3-5-17(6-4-16)27-13-18(25)24-7-9-26-10-8-24/h3-6,11H,7-10,12-13H2,1-2H3/b23-20+
InChIKeyPWHYAUKSZOYKLA-BSYVCWPDSA-N
XLogP2.61
TPSA89.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
2-[4-(ethylaminomethyl)phenoxy]-1-morpholin-4-ylethanone
CID 43276966
2-(4-hydroxyphenoxy)-1-morpholin-4-ylethanone
CID 43143408
2-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]-1-morpholin-4-ylethanone
CID 28856770
2-[4-[[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]methyl]phenoxy]-1-morpholin-4-ylethanone
CID 77091308
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide
CID 7203468
2-[4-[[(1,2-dimethylbenzimidazol-5-yl)methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone
CID 131927451
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide;hydrate
CID 139069446
2-(4-isocyanato-3-methylphenoxy)-1-morpholin-4-ylethanone
CID 169354502
N-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 9123633
2-(4-methoxyphenyl)-N-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]acetamide
CID 126227474
methyl N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]carbamate
CID 2923381

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(4,6-dimethylpyrimidin-2-yl)diazenyl]methyl]phenoxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-[[(4,6-dimethylpyrimidin-2-yl)diazenyl]methyl]phenoxy]-1-morpholin-4-ylethanone (CID 170920910) is 2-[4-[[(4,6-dimethylpyrimidin-2-yl)diazenyl]methyl]phenoxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-[[(4,6-dimethylpyrimidin-2-yl)diazenyl]methyl]phenoxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-[[(4,6-dimethylpyrimidin-2-yl)diazenyl]methyl]phenoxy]-1-morpholin-4-ylethanone is Cc1cc(C)nc(/N=N/Cc2ccc(OCC(=O)N3CCOCC3)cc2)n1.
What is the InChIKey of 2-[4-[[(4,6-dimethylpyrimidin-2-yl)diazenyl]methyl]phenoxy]-1-morpholin-4-ylethanone?
The InChIKey is PWHYAUKSZOYKLA-BSYVCWPDSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-14-11-15(2)22-19(21-14)23-20-12-16-3-5-17(6-4-16)27-13-18(25)24-7-9-26-10-8-24/h3-6,11H,7-10,12-13H2,1-2H3/b23-20+.
What are the key properties of 2-[4-[[(4,6-dimethylpyrimidin-2-yl)diazenyl]methyl]phenoxy]-1-morpholin-4-ylethanone?
2-[4-[[(4,6-dimethylpyrimidin-2-yl)diazenyl]methyl]phenoxy]-1-morpholin-4-ylethanone has a molecular weight of 369.43 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(4,6-dimethylpyrimidin-2-yl)diazenyl]methyl]phenoxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 170920910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).