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

C21H22N4O3 — CID 51346932

IUPAC6-[(2S)-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-/m1/s1
InChIKeyUXIBAVJUVOXYPB-LJQANCHMSA-N
MW378.43 g/mol
LogP2.43
Rot. Bonds4

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

6-[(2S)-2-(2-methoxyphenyl)morpholin-4-yl]-1-methyl-4-pyrimidin-4-ylpyridin-2-one (PubChem CID 51346932) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 6-[(2S)-2-(2-methoxyphenyl)morpholin-4-yl]-1-methyl-4-pyrimidin-4-ylpyridin-2-one.

Molecular Properties

Compound Name6-[(2S)-2-(2-methoxyphenyl)morpholin-4-yl]-1-methyl-4-pyrimidin-4-ylpyridin-2-one
PubChem CID51346932
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name6-[(2S)-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-/m1/s1
InChIKeyUXIBAVJUVOXYPB-LJQANCHMSA-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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Related Compounds

4-[4-(2-Methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine
CID 2989573
2-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 25005987
2-[(2R)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 25005989
CID 56589672
CID 56589672
2-[(2S)-2-(4-fluoro-2-methoxyphenyl)morpholin-4-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 57798425
[4,4-Bipyrimidin]-6(1h)-one, 2-[(2s)-2-(2-methoxyphenyl)-4-morpholinyl]-1-methyl-
CID 57798492
2-[(2S)-2-(2,6-dimethoxyphenyl)morpholin-4-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 57798682
1-[2-Hydroxy-1-(3-methoxyphenyl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 71728186
2-[3-(4-Fluoro-2-methoxyphenyl)piperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one;hydrochloride
CID 137651411
4-[(2-Methoxybenzyl)amino]-2-[(4-morpholin-4-ylphenyl)amino]pyrimidine-5-carboxamide
CID 10003041
N-[4-[2-(Dimethylamino)ethoxy]phenyl]-4-(3-pyridinyl)-2-pyrimidinamine
CID 14347179
N-[4-[2-(diethylamino)ethoxy]phenyl]-4-pyridin-4-ylpyrimidin-2-amine
CID 14347181

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-(2-methoxyphenyl)morpholin-4-yl]-1-methyl-4-pyrimidin-4-ylpyridin-2-one?
The IUPAC name of 6-[(2S)-2-(2-methoxyphenyl)morpholin-4-yl]-1-methyl-4-pyrimidin-4-ylpyridin-2-one (CID 51346932) is 6-[(2S)-2-(2-methoxyphenyl)morpholin-4-yl]-1-methyl-4-pyrimidin-4-ylpyridin-2-one.
What is the SMILES notation for 6-[(2S)-2-(2-methoxyphenyl)morpholin-4-yl]-1-methyl-4-pyrimidin-4-ylpyridin-2-one?
The canonical SMILES for 6-[(2S)-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-[(2S)-2-(2-methoxyphenyl)morpholin-4-yl]-1-methyl-4-pyrimidin-4-ylpyridin-2-one?
The InChIKey is UXIBAVJUVOXYPB-LJQANCHMSA-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-/m1/s1.
What are the key properties of 6-[(2S)-2-(2-methoxyphenyl)morpholin-4-yl]-1-methyl-4-pyrimidin-4-ylpyridin-2-one?
6-[(2S)-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-[(2S)-2-(2-methoxyphenyl)morpholin-4-yl]-1-methyl-4-pyrimidin-4-ylpyridin-2-one is sourced from PubChem (CID 51346932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).