4-(methoxymethyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-(2-phenylethyl)-1H-pyrimidin-6-one

C25H30N4O3 — CID 135893937

IUPAC4-(methoxymethyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-(2-phenylethyl)-1H-pyrimidin-6-one
SMILESCOCc1nc(N2CCN(c3cccc(OC)c3)CC2)[nH]c(=O)c1CCc1ccccc1
InChIInChI=1S/C25H30N4O3/c1-31-18-23-22(12-11-19-7-4-3-5-8-19)24(30)27-25(26-23)29-15-13-28(14-16-29)20-9-6-10-21(17-20)32-2/h3-10,17H,11-16,18H2,1-2H3,(H,26,27,30)
InChIKeyYFKRQEVBGPRZJX-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.04
Rot. Bonds8

About 4-(methoxymethyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-(2-phenylethyl)-1H-pyrimidin-6-one

4-(methoxymethyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-(2-phenylethyl)-1H-pyrimidin-6-one (PubChem CID 135893937) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-(2-phenylethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(methoxymethyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-(2-phenylethyl)-1H-pyrimidin-6-one
PubChem CID135893937
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name4-(methoxymethyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-(2-phenylethyl)-1H-pyrimidin-6-one
SMILESCOCc1nc(N2CCN(c3cccc(OC)c3)CC2)[nH]c(=O)c1CCc1ccccc1
InChIInChI=1S/C25H30N4O3/c1-31-18-23-22(12-11-19-7-4-3-5-8-19)24(30)27-25(26-23)29-15-13-28(14-16-29)20-9-6-10-21(17-20)32-2/h3-10,17H,11-16,18H2,1-2H3,(H,26,27,30)
InChIKeyYFKRQEVBGPRZJX-UHFFFAOYSA-N
XLogP3.04
TPSA70.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-4-(methoxymethyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135911493
2-[4-(3-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135644892
1-tert-butyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137260725
2-(4-benzhydrylpiperazin-1-yl)-4-(methoxymethyl)-5-prop-2-enyl-1H-pyrimidin-6-one
CID 135893912
4-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 135520797
4-[5-ethyl-4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]piperazine-1-carbaldehyde
CID 135911490
4-phenyl-2-(4-phenylpiperazin-1-yl)-5-propyl-1H-pyrimidin-6-one
CID 135644964
4-(methoxymethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 135911478
3-[[4-(3-methoxyphenyl)piperazin-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 3195696
1-[4-[6-(methoxymethyl)-5-[(3-methoxyphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 83279385
4-(4-ethylsulfonylpiperazin-1-yl)-6-(methoxymethyl)-5-[(3-methoxyphenyl)methyl]-2-methylpyrimidine
CID 83286418
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-(2-phenylethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(methoxymethyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-(2-phenylethyl)-1H-pyrimidin-6-one (CID 135893937) is 4-(methoxymethyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-(2-phenylethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(methoxymethyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-(2-phenylethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(methoxymethyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-(2-phenylethyl)-1H-pyrimidin-6-one is COCc1nc(N2CCN(c3cccc(OC)c3)CC2)[nH]c(=O)c1CCc1ccccc1.
What is the InChIKey of 4-(methoxymethyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-(2-phenylethyl)-1H-pyrimidin-6-one?
The InChIKey is YFKRQEVBGPRZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-31-18-23-22(12-11-19-7-4-3-5-8-19)24(30)27-25(26-23)29-15-13-28(14-16-29)20-9-6-10-21(17-20)32-2/h3-10,17H,11-16,18H2,1-2H3,(H,26,27,30).
What are the key properties of 4-(methoxymethyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-(2-phenylethyl)-1H-pyrimidin-6-one?
4-(methoxymethyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-(2-phenylethyl)-1H-pyrimidin-6-one has a molecular weight of 434.54 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-(2-phenylethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135893937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).