6-(methoxymethyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-morpholin-4-ylpyrimidin-4-one

C23H31N5O5 — CID 51363351

IUPAC6-(methoxymethyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-morpholin-4-ylpyrimidin-4-one
SMILESCOCc1cc(=O)n(CC(=O)N2CCN(c3ccccc3OC)CC2)c(N2CCOCC2)n1
InChIInChI=1S/C23H31N5O5/c1-31-17-18-15-21(29)28(23(24-18)27-11-13-33-14-12-27)16-22(30)26-9-7-25(8-10-26)19-5-3-4-6-20(19)32-2/h3-6,15H,7-14,16-17H2,1-2H3
InChIKeySKDGGYZTCURUCD-UHFFFAOYSA-N
MW457.53 g/mol
LogP0.58
Rot. Bonds7

About 6-(methoxymethyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-morpholin-4-ylpyrimidin-4-one

6-(methoxymethyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-morpholin-4-ylpyrimidin-4-one (PubChem CID 51363351) has the molecular formula C23H31N5O5 and a molecular weight of 457.53 g/mol. Its IUPAC name is 6-(methoxymethyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-morpholin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name6-(methoxymethyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-morpholin-4-ylpyrimidin-4-one
PubChem CID51363351
Molecular FormulaC23H31N5O5
Molecular Weight457.53 g/mol
Exact Mass457.23
IUPAC Name6-(methoxymethyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-morpholin-4-ylpyrimidin-4-one
SMILESCOCc1cc(=O)n(CC(=O)N2CCN(c3ccccc3OC)CC2)c(N2CCOCC2)n1
InChIInChI=1S/C23H31N5O5/c1-31-17-18-15-21(29)28(23(24-18)27-11-13-33-14-12-27)16-22(30)26-9-7-25(8-10-26)19-5-3-4-6-20(19)32-2/h3-6,15H,7-14,16-17H2,1-2H3
InChIKeySKDGGYZTCURUCD-UHFFFAOYSA-N
XLogP0.58
TPSA89.37 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-(methoxymethyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-morpholin-4-ylpyrimidin-4-one with MolForge

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Related Compounds

2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-morpholin-4-ylpyridazin-3-one
CID 52900090
N-[(3-bromophenyl)methyl]-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide
CID 51369876
3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one
CID 51046856
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 9335378
6-cyclopropyl-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 122160611
16-(2-methoxyphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 86134682
methyl 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]triazole-4-carboxylate
CID 122241532
N,N-diethyl-2-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-yl]sulfanylacetamide
CID 3229847
N-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]acetamide
CID 87050342
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(2-morpholin-4-ylethylamino)propan-1-one
CID 109016734
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941985
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 41337436

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-morpholin-4-ylpyrimidin-4-one?
The IUPAC name of 6-(methoxymethyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-morpholin-4-ylpyrimidin-4-one (CID 51363351) is 6-(methoxymethyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-morpholin-4-ylpyrimidin-4-one.
What is the SMILES notation for 6-(methoxymethyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-morpholin-4-ylpyrimidin-4-one?
The canonical SMILES for 6-(methoxymethyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-morpholin-4-ylpyrimidin-4-one is COCc1cc(=O)n(CC(=O)N2CCN(c3ccccc3OC)CC2)c(N2CCOCC2)n1.
What is the InChIKey of 6-(methoxymethyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-morpholin-4-ylpyrimidin-4-one?
The InChIKey is SKDGGYZTCURUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O5/c1-31-17-18-15-21(29)28(23(24-18)27-11-13-33-14-12-27)16-22(30)26-9-7-25(8-10-26)19-5-3-4-6-20(19)32-2/h3-6,15H,7-14,16-17H2,1-2H3.
What are the key properties of 6-(methoxymethyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-morpholin-4-ylpyrimidin-4-one?
6-(methoxymethyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-morpholin-4-ylpyrimidin-4-one has a molecular weight of 457.53 g/mol, XLogP of 0.58, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-morpholin-4-ylpyrimidin-4-one is sourced from PubChem (CID 51363351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).