1-[(2R)-2-methylmorpholin-4-yl]-2-[3-(2-methylpyrimidin-4-yl)anilino]ethanone

C18H22N4O2 — CID 36846198

IUPAC1-[(2R)-2-methylmorpholin-4-yl]-2-[3-(2-methylpyrimidin-4-yl)anilino]ethanone
SMILESCc1nccc(-c2cccc(NCC(=O)N3CCO[C@H](C)C3)c2)n1
InChIInChI=1S/C18H22N4O2/c1-13-12-22(8-9-24-13)18(23)11-20-16-5-3-4-15(10-16)17-6-7-19-14(2)21-17/h3-7,10,13,20H,8-9,11-12H2,1-2H3/t13-/m1/s1
InChIKeyANSPAYAIAFSBTH-CYBMUJFWSA-N
MW326.40 g/mol
LogP2.11
Rot. Bonds4

About 1-[(2R)-2-methylmorpholin-4-yl]-2-[3-(2-methylpyrimidin-4-yl)anilino]ethanone

1-[(2R)-2-methylmorpholin-4-yl]-2-[3-(2-methylpyrimidin-4-yl)anilino]ethanone (PubChem CID 36846198) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-[(2R)-2-methylmorpholin-4-yl]-2-[3-(2-methylpyrimidin-4-yl)anilino]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-methylmorpholin-4-yl]-2-[3-(2-methylpyrimidin-4-yl)anilino]ethanone
PubChem CID36846198
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name1-[(2R)-2-methylmorpholin-4-yl]-2-[3-(2-methylpyrimidin-4-yl)anilino]ethanone
SMILESCc1nccc(-c2cccc(NCC(=O)N3CCO[C@H](C)C3)c2)n1
InChIInChI=1S/C18H22N4O2/c1-13-12-22(8-9-24-13)18(23)11-20-16-5-3-4-15(10-16)17-6-7-19-14(2)21-17/h3-7,10,13,20H,8-9,11-12H2,1-2H3/t13-/m1/s1
InChIKeyANSPAYAIAFSBTH-CYBMUJFWSA-N
XLogP2.11
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-methylmorpholin-4-yl]-2-[3-(2-methylpyrimidin-4-yl)anilino]ethanone?
The IUPAC name of 1-[(2R)-2-methylmorpholin-4-yl]-2-[3-(2-methylpyrimidin-4-yl)anilino]ethanone (CID 36846198) is 1-[(2R)-2-methylmorpholin-4-yl]-2-[3-(2-methylpyrimidin-4-yl)anilino]ethanone.
What is the SMILES notation for 1-[(2R)-2-methylmorpholin-4-yl]-2-[3-(2-methylpyrimidin-4-yl)anilino]ethanone?
The canonical SMILES for 1-[(2R)-2-methylmorpholin-4-yl]-2-[3-(2-methylpyrimidin-4-yl)anilino]ethanone is Cc1nccc(-c2cccc(NCC(=O)N3CCO[C@H](C)C3)c2)n1.
What is the InChIKey of 1-[(2R)-2-methylmorpholin-4-yl]-2-[3-(2-methylpyrimidin-4-yl)anilino]ethanone?
The InChIKey is ANSPAYAIAFSBTH-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13-12-22(8-9-24-13)18(23)11-20-16-5-3-4-15(10-16)17-6-7-19-14(2)21-17/h3-7,10,13,20H,8-9,11-12H2,1-2H3/t13-/m1/s1.
What are the key properties of 1-[(2R)-2-methylmorpholin-4-yl]-2-[3-(2-methylpyrimidin-4-yl)anilino]ethanone?
1-[(2R)-2-methylmorpholin-4-yl]-2-[3-(2-methylpyrimidin-4-yl)anilino]ethanone has a molecular weight of 326.40 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-methylmorpholin-4-yl]-2-[3-(2-methylpyrimidin-4-yl)anilino]ethanone is sourced from PubChem (CID 36846198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).