1-[2-[(2R,3S)-3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one

C19H23N3O6 — CID 155915858

IUPAC1-[2-[(2R,3S)-3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one
SMILESCOc1ccc([C@H]2[C@H](CO)OCCN2C(=O)Cn2cccnc2=O)cc1OC
InChIInChI=1S/C19H23N3O6/c1-26-14-5-4-13(10-15(14)27-2)18-16(12-23)28-9-8-22(18)17(24)11-21-7-3-6-20-19(21)25/h3-7,10,16,18,23H,8-9,11-12H2,1-2H3/t16-,18-/m0/s1
InChIKeyNCHAVPHJZNAANC-WMZOPIPTSA-N
MW389.41 g/mol
LogP0.22
Rot. Bonds6

About 1-[2-[(2R,3S)-3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one

1-[2-[(2R,3S)-3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one (PubChem CID 155915858) has the molecular formula C19H23N3O6 and a molecular weight of 389.41 g/mol. Its IUPAC name is 1-[2-[(2R,3S)-3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-[(2R,3S)-3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one
PubChem CID155915858
Molecular FormulaC19H23N3O6
Molecular Weight389.41 g/mol
Exact Mass389.16
IUPAC Name1-[2-[(2R,3S)-3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one
SMILESCOc1ccc([C@H]2[C@H](CO)OCCN2C(=O)Cn2cccnc2=O)cc1OC
InChIInChI=1S/C19H23N3O6/c1-26-14-5-4-13(10-15(14)27-2)18-16(12-23)28-9-8-22(18)17(24)11-21-7-3-6-20-19(21)25/h3-7,10,16,18,23H,8-9,11-12H2,1-2H3/t16-,18-/m0/s1
InChIKeyNCHAVPHJZNAANC-WMZOPIPTSA-N
XLogP0.22
TPSA103.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide
CID 39920226
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(2-oxopyrimidin-1-yl)acetamide
CID 40198801
[trans-3-(3,4-Dimethoxyphenyl)-4-(4,4,4-trifluorobutanoyl)morpholin-2-yl]methanol
CID 134705238
1-[3-(3,4-Dimethoxyphenyl)-2-(hydroxymethyl)morpholin-4-yl]-4,4,4-trifluorobutan-1-one
CID 168454069
N-[2-[3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]propanamide
CID 168452452
N-[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 33141566
N-[(1S)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 33141570
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 33142762
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 33142765
N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 39496947
N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 39496948
1-[2-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 40175173

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R,3S)-3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one?
The IUPAC name of 1-[2-[(2R,3S)-3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one (CID 155915858) is 1-[2-[(2R,3S)-3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-[(2R,3S)-3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-[(2R,3S)-3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one is COc1ccc([C@H]2[C@H](CO)OCCN2C(=O)Cn2cccnc2=O)cc1OC.
What is the InChIKey of 1-[2-[(2R,3S)-3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one?
The InChIKey is NCHAVPHJZNAANC-WMZOPIPTSA-N. The full InChI is InChI=1S/C19H23N3O6/c1-26-14-5-4-13(10-15(14)27-2)18-16(12-23)28-9-8-22(18)17(24)11-21-7-3-6-20-19(21)25/h3-7,10,16,18,23H,8-9,11-12H2,1-2H3/t16-,18-/m0/s1.
What are the key properties of 1-[2-[(2R,3S)-3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one?
1-[2-[(2R,3S)-3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one has a molecular weight of 389.41 g/mol, XLogP of 0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R,3S)-3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one is sourced from PubChem (CID 155915858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).