1-[2-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one

C19H23N3O4 — CID 132765075

IUPAC1-[2-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one
SMILESCc1ccccc1CC1(CO)CN(C(=O)Cn2cccnc2=O)CCO1
InChIInChI=1S/C19H23N3O4/c1-15-5-2-3-6-16(15)11-19(14-23)13-22(9-10-26-19)17(24)12-21-8-4-7-20-18(21)25/h2-8,23H,9-14H2,1H3
InChIKeyREFQWBVDEMTDRJ-UHFFFAOYSA-N
MW357.41 g/mol
LogP0.38
Rot. Bonds5

About 1-[2-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one

1-[2-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one (PubChem CID 132765075) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-[2-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one
PubChem CID132765075
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name1-[2-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one
SMILESCc1ccccc1CC1(CO)CN(C(=O)Cn2cccnc2=O)CCO1
InChIInChI=1S/C19H23N3O4/c1-15-5-2-3-6-16(15)11-19(14-23)13-22(9-10-26-19)17(24)12-21-8-4-7-20-18(21)25/h2-8,23H,9-14H2,1H3
InChIKeyREFQWBVDEMTDRJ-UHFFFAOYSA-N
XLogP0.38
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one with MolForge

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Related Compounds

1-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-3-imidazol-1-ylpropan-1-one
CID 132764590
1-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 132765108
1-[2-[(2-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-phenoxyethanone
CID 132770873
[2-[(2-methylphenyl)methyl]-4-(oxan-4-yl)morpholin-2-yl]methanol
CID 155992738
1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(2-fluorophenyl)ethanone
CID 132770482
1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(2-methoxyphenyl)ethanone
CID 132777548
2-benzyl-8-[2-(2-oxopyrimidin-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70740477
1'-[2-(2-oxopyrimidin-1-yl)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 74244151
10-[2-(2-oxopyrimidin-1-yl)acetyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155986363
1-[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-phenoxyethanone
CID 132770875
1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(1H-imidazol-5-yl)ethanone
CID 132649139
2-[4-[2-(2-oxopyrimidin-1-yl)acetyl]-1,4-diazepan-1-yl]acetic acid
CID 62823744

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one?
The IUPAC name of 1-[2-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one (CID 132765075) is 1-[2-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one is Cc1ccccc1CC1(CO)CN(C(=O)Cn2cccnc2=O)CCO1.
What is the InChIKey of 1-[2-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one?
The InChIKey is REFQWBVDEMTDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-15-5-2-3-6-16(15)11-19(14-23)13-22(9-10-26-19)17(24)12-21-8-4-7-20-18(21)25/h2-8,23H,9-14H2,1H3.
What are the key properties of 1-[2-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one?
1-[2-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one has a molecular weight of 357.41 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one is sourced from PubChem (CID 132765075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).