2-methoxy-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide

C18H23N5O3 — CID 122325940

IUPAC2-methoxy-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide
SMILESCOCC(=O)Nc1ccc(Nc2cc(C)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C18H23N5O3/c1-13-11-16(22-18(19-13)23-7-9-26-10-8-23)20-14-3-5-15(6-4-14)21-17(24)12-25-2/h3-6,11H,7-10,12H2,1-2H3,(H,21,24)(H,19,20,22)
InChIKeyXRIXRWUVLLXCFJ-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.95
Rot. Bonds6

About 2-methoxy-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide

2-methoxy-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide (PubChem CID 122325940) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-methoxy-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide
PubChem CID122325940
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name2-methoxy-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide
SMILESCOCC(=O)Nc1ccc(Nc2cc(C)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C18H23N5O3/c1-13-11-16(22-18(19-13)23-7-9-26-10-8-23)20-14-3-5-15(6-4-14)21-17(24)12-25-2/h3-6,11H,7-10,12H2,1-2H3,(H,21,24)(H,19,20,22)
InChIKeyXRIXRWUVLLXCFJ-UHFFFAOYSA-N
XLogP1.95
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-(2-methylphenoxy)acetamide
CID 122326025
2-methyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide
CID 53047890
ethyl 4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]benzoate
CID 659609
2-(4-methoxyphenoxy)-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122295632
3,4-dimethoxy-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 53047904
N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 122326135
5-methyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1,2-oxazole-3-carboxamide
CID 122326053
3,4-dimethyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 53047898
2-(2-chloro-6-fluorophenyl)-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122326153
N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-phenoxyacetamide
CID 121090371
2-methoxy-1-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 121031773
2-(4-methoxyphenyl)-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 121090418

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide?
The IUPAC name of 2-methoxy-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide (CID 122325940) is 2-methoxy-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide?
The canonical SMILES for 2-methoxy-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide is COCC(=O)Nc1ccc(Nc2cc(C)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 2-methoxy-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide?
The InChIKey is XRIXRWUVLLXCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-13-11-16(22-18(19-13)23-7-9-26-10-8-23)20-14-3-5-15(6-4-14)21-17(24)12-25-2/h3-6,11H,7-10,12H2,1-2H3,(H,21,24)(H,19,20,22).
What are the key properties of 2-methoxy-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide?
2-methoxy-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide has a molecular weight of 357.41 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide is sourced from PubChem (CID 122325940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).