6-[(2R)-2-(2-methoxyphenyl)morpholin-4-yl]-1-methyl-4-pyrimidin-4-ylpyridin-2-one

C21H22N4O3 — CID 53325013

IUPAC6-[(2R)-2-(2-methoxyphenyl)morpholin-4-yl]-1-methyl-4-pyrimidin-4-ylpyridin-2-one
SMILESCOc1ccccc1[C@@H]1CN(c2cc(-c3ccncn3)cc(=O)n2C)CCO1
InChIInChI=1S/C21H22N4O3/c1-24-20(11-15(12-21(24)26)17-7-8-22-14-23-17)25-9-10-28-19(13-25)16-5-3-4-6-18(16)27-2/h3-8,11-12,14,19H,9-10,13H2,1-2H3/t19-/m0/s1
InChIKeyUXIBAVJUVOXYPB-IBGZPJMESA-N
MW378.43 g/mol
LogP2.43
Rot. Bonds4

About 6-[(2R)-2-(2-methoxyphenyl)morpholin-4-yl]-1-methyl-4-pyrimidin-4-ylpyridin-2-one

6-[(2R)-2-(2-methoxyphenyl)morpholin-4-yl]-1-methyl-4-pyrimidin-4-ylpyridin-2-one (PubChem CID 53325013) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 6-[(2R)-2-(2-methoxyphenyl)morpholin-4-yl]-1-methyl-4-pyrimidin-4-ylpyridin-2-one.

Molecular Properties

Compound Name6-[(2R)-2-(2-methoxyphenyl)morpholin-4-yl]-1-methyl-4-pyrimidin-4-ylpyridin-2-one
PubChem CID53325013
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name6-[(2R)-2-(2-methoxyphenyl)morpholin-4-yl]-1-methyl-4-pyrimidin-4-ylpyridin-2-one
SMILESCOc1ccccc1[C@@H]1CN(c2cc(-c3ccncn3)cc(=O)n2C)CCO1
InChIInChI=1S/C21H22N4O3/c1-24-20(11-15(12-21(24)26)17-7-8-22-14-23-17)25-9-10-28-19(13-25)16-5-3-4-6-18(16)27-2/h3-8,11-12,14,19H,9-10,13H2,1-2H3/t19-/m0/s1
InChIKeyUXIBAVJUVOXYPB-IBGZPJMESA-N
XLogP2.43
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-(2-methoxyphenyl)morpholin-4-yl]-1-methyl-4-pyrimidin-4-ylpyridin-2-one?
The IUPAC name of 6-[(2R)-2-(2-methoxyphenyl)morpholin-4-yl]-1-methyl-4-pyrimidin-4-ylpyridin-2-one (CID 53325013) is 6-[(2R)-2-(2-methoxyphenyl)morpholin-4-yl]-1-methyl-4-pyrimidin-4-ylpyridin-2-one.
What is the SMILES notation for 6-[(2R)-2-(2-methoxyphenyl)morpholin-4-yl]-1-methyl-4-pyrimidin-4-ylpyridin-2-one?
The canonical SMILES for 6-[(2R)-2-(2-methoxyphenyl)morpholin-4-yl]-1-methyl-4-pyrimidin-4-ylpyridin-2-one is COc1ccccc1[C@@H]1CN(c2cc(-c3ccncn3)cc(=O)n2C)CCO1.
What is the InChIKey of 6-[(2R)-2-(2-methoxyphenyl)morpholin-4-yl]-1-methyl-4-pyrimidin-4-ylpyridin-2-one?
The InChIKey is UXIBAVJUVOXYPB-IBGZPJMESA-N. The full InChI is InChI=1S/C21H22N4O3/c1-24-20(11-15(12-21(24)26)17-7-8-22-14-23-17)25-9-10-28-19(13-25)16-5-3-4-6-18(16)27-2/h3-8,11-12,14,19H,9-10,13H2,1-2H3/t19-/m0/s1.
What are the key properties of 6-[(2R)-2-(2-methoxyphenyl)morpholin-4-yl]-1-methyl-4-pyrimidin-4-ylpyridin-2-one?
6-[(2R)-2-(2-methoxyphenyl)morpholin-4-yl]-1-methyl-4-pyrimidin-4-ylpyridin-2-one has a molecular weight of 378.43 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-(2-methoxyphenyl)morpholin-4-yl]-1-methyl-4-pyrimidin-4-ylpyridin-2-one is sourced from PubChem (CID 53325013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).