1-[3-(4-anilinopyrimidin-2-yl)morpholin-4-yl]-2-(dimethylamino)ethanone

C18H23N5O2 — CID 131638506

IUPAC1-[3-(4-anilinopyrimidin-2-yl)morpholin-4-yl]-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)N1CCOCC1c1nccc(Nc2ccccc2)n1
InChIInChI=1S/C18H23N5O2/c1-22(2)12-17(24)23-10-11-25-13-15(23)18-19-9-8-16(21-18)20-14-6-4-3-5-7-14/h3-9,15H,10-13H2,1-2H3,(H,19,20,21)
InChIKeyWMFYWPKAMQMRMB-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.68
Rot. Bonds5

About 1-[3-(4-anilinopyrimidin-2-yl)morpholin-4-yl]-2-(dimethylamino)ethanone

1-[3-(4-anilinopyrimidin-2-yl)morpholin-4-yl]-2-(dimethylamino)ethanone (PubChem CID 131638506) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[3-(4-anilinopyrimidin-2-yl)morpholin-4-yl]-2-(dimethylamino)ethanone.

Molecular Properties

Compound Name1-[3-(4-anilinopyrimidin-2-yl)morpholin-4-yl]-2-(dimethylamino)ethanone
PubChem CID131638506
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC Name1-[3-(4-anilinopyrimidin-2-yl)morpholin-4-yl]-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)N1CCOCC1c1nccc(Nc2ccccc2)n1
InChIInChI=1S/C18H23N5O2/c1-22(2)12-17(24)23-10-11-25-13-15(23)18-19-9-8-16(21-18)20-14-6-4-3-5-7-14/h3-9,15H,10-13H2,1-2H3,(H,19,20,21)
InChIKeyWMFYWPKAMQMRMB-UHFFFAOYSA-N
XLogP1.68
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3R)-3-(4-anilinopyrimidin-2-yl)morpholin-4-yl]ethanone
CID 97487080
2-phenyl-1-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone
CID 131657179
2-methyl-1-[3-[4-(pyridin-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]propan-1-one
CID 131644722
phenyl-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]methanone
CID 133140572
2-(dimethylamino)-1-[3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]morpholin-4-yl]ethanone
CID 110113853
2-cyclopentyloxy-1-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone
CID 131644550
2-pyridin-2-yl-1-[(3S)-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholin-4-yl]ethanone
CID 97485841
[(3R)-3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]-pyrazin-2-ylmethanone
CID 97483141
[(3S)-3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]-pyrazin-2-ylmethanone
CID 97483143
[(3S)-3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(furan-2-yl)methanone
CID 97487478
[(3S)-3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 97486330
[3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-pyridazin-4-ylmethanone
CID 131643119

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-anilinopyrimidin-2-yl)morpholin-4-yl]-2-(dimethylamino)ethanone?
The IUPAC name of 1-[3-(4-anilinopyrimidin-2-yl)morpholin-4-yl]-2-(dimethylamino)ethanone (CID 131638506) is 1-[3-(4-anilinopyrimidin-2-yl)morpholin-4-yl]-2-(dimethylamino)ethanone.
What is the SMILES notation for 1-[3-(4-anilinopyrimidin-2-yl)morpholin-4-yl]-2-(dimethylamino)ethanone?
The canonical SMILES for 1-[3-(4-anilinopyrimidin-2-yl)morpholin-4-yl]-2-(dimethylamino)ethanone is CN(C)CC(=O)N1CCOCC1c1nccc(Nc2ccccc2)n1.
What is the InChIKey of 1-[3-(4-anilinopyrimidin-2-yl)morpholin-4-yl]-2-(dimethylamino)ethanone?
The InChIKey is WMFYWPKAMQMRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-22(2)12-17(24)23-10-11-25-13-15(23)18-19-9-8-16(21-18)20-14-6-4-3-5-7-14/h3-9,15H,10-13H2,1-2H3,(H,19,20,21).
What are the key properties of 1-[3-(4-anilinopyrimidin-2-yl)morpholin-4-yl]-2-(dimethylamino)ethanone?
1-[3-(4-anilinopyrimidin-2-yl)morpholin-4-yl]-2-(dimethylamino)ethanone has a molecular weight of 341.41 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-anilinopyrimidin-2-yl)morpholin-4-yl]-2-(dimethylamino)ethanone is sourced from PubChem (CID 131638506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).