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

C16H18N4O2 — CID 97487080

IUPAC1-[(3R)-3-(4-anilinopyrimidin-2-yl)morpholin-4-yl]ethanone
SMILESCC(=O)N1CCOC[C@H]1c1nccc(Nc2ccccc2)n1
InChIInChI=1S/C16H18N4O2/c1-12(21)20-9-10-22-11-14(20)16-17-8-7-15(19-16)18-13-5-3-2-4-6-13/h2-8,14H,9-11H2,1H3,(H,17,18,19)/t14-/m0/s1
InChIKeyIXGHCWRTQIBIDQ-AWEZNQCLSA-N
MW298.35 g/mol
LogP2.14
Rot. Bonds3

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

1-[(3R)-3-(4-anilinopyrimidin-2-yl)morpholin-4-yl]ethanone (PubChem CID 97487080) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-[(3R)-3-(4-anilinopyrimidin-2-yl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-(4-anilinopyrimidin-2-yl)morpholin-4-yl]ethanone
PubChem CID97487080
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name1-[(3R)-3-(4-anilinopyrimidin-2-yl)morpholin-4-yl]ethanone
SMILESCC(=O)N1CCOC[C@H]1c1nccc(Nc2ccccc2)n1
InChIInChI=1S/C16H18N4O2/c1-12(21)20-9-10-22-11-14(20)16-17-8-7-15(19-16)18-13-5-3-2-4-6-13/h2-8,14H,9-11H2,1H3,(H,17,18,19)/t14-/m0/s1
InChIKeyIXGHCWRTQIBIDQ-AWEZNQCLSA-N
XLogP2.14
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(4-anilinopyrimidin-2-yl)morpholin-4-yl]-2-(dimethylamino)ethanone
CID 131638506
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
1-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155842670
2-phenyl-1-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone
CID 131657179
[(3S)-3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(furan-2-yl)methanone
CID 97487478
[(3S)-3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]-pyrazin-2-ylmethanone
CID 97483143
[(3R)-3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]-pyrazin-2-ylmethanone
CID 97483141
2-cyclopentyloxy-1-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone
CID 131644550
[(3R)-3-[4-(cyclopentylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone
CID 97485514
2-pyridin-2-yl-1-[(3S)-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholin-4-yl]ethanone
CID 97485841
[(3S)-3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 97486330

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(4-anilinopyrimidin-2-yl)morpholin-4-yl]ethanone?
The IUPAC name of 1-[(3R)-3-(4-anilinopyrimidin-2-yl)morpholin-4-yl]ethanone (CID 97487080) is 1-[(3R)-3-(4-anilinopyrimidin-2-yl)morpholin-4-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-(4-anilinopyrimidin-2-yl)morpholin-4-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-(4-anilinopyrimidin-2-yl)morpholin-4-yl]ethanone is CC(=O)N1CCOC[C@H]1c1nccc(Nc2ccccc2)n1.
What is the InChIKey of 1-[(3R)-3-(4-anilinopyrimidin-2-yl)morpholin-4-yl]ethanone?
The InChIKey is IXGHCWRTQIBIDQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-12(21)20-9-10-22-11-14(20)16-17-8-7-15(19-16)18-13-5-3-2-4-6-13/h2-8,14H,9-11H2,1H3,(H,17,18,19)/t14-/m0/s1.
What are the key properties of 1-[(3R)-3-(4-anilinopyrimidin-2-yl)morpholin-4-yl]ethanone?
1-[(3R)-3-(4-anilinopyrimidin-2-yl)morpholin-4-yl]ethanone has a molecular weight of 298.35 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(4-anilinopyrimidin-2-yl)morpholin-4-yl]ethanone is sourced from PubChem (CID 97487080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).