1-benzyl-5-ethyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrimidine-2,4-dione;hydrochloride

C27H35ClN4O3 — CID 70198103

IUPAC1-benzyl-5-ethyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrimidine-2,4-dione;hydrochloride
SMILESCCc1cn(Cc2ccccc2)c(=O)n(CCCN2CCN(c3ccccc3OC)CC2)c1=O.Cl
InChIInChI=1S/C27H34N4O3.ClH/c1-3-23-21-30(20-22-10-5-4-6-11-22)27(33)31(26(23)32)15-9-14-28-16-18-29(19-17-28)24-12-7-8-13-25(24)34-2;/h4-8,10-13,21H,3,9,14-20H2,1-2H3;1H
InChIKeyBHMMLCVAUOJENF-UHFFFAOYSA-N
MW499.06 g/mol
LogP3.26
Rot. Bonds9

About 1-benzyl-5-ethyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrimidine-2,4-dione;hydrochloride

1-benzyl-5-ethyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrimidine-2,4-dione;hydrochloride (PubChem CID 70198103) has the molecular formula C27H35ClN4O3 and a molecular weight of 499.06 g/mol. Its IUPAC name is 1-benzyl-5-ethyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name1-benzyl-5-ethyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrimidine-2,4-dione;hydrochloride
PubChem CID70198103
Molecular FormulaC27H35ClN4O3
Molecular Weight499.06 g/mol
Exact Mass498.24
IUPAC Name1-benzyl-5-ethyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrimidine-2,4-dione;hydrochloride
SMILESCCc1cn(Cc2ccccc2)c(=O)n(CCCN2CCN(c3ccccc3OC)CC2)c1=O.Cl
InChIInChI=1S/C27H34N4O3.ClH/c1-3-23-21-30(20-22-10-5-4-6-11-22)27(33)31(26(23)32)15-9-14-28-16-18-29(19-17-28)24-12-7-8-13-25(24)34-2;/h4-8,10-13,21H,3,9,14-20H2,1-2H3;1H
InChIKeyBHMMLCVAUOJENF-UHFFFAOYSA-N
XLogP3.26
TPSA59.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.06
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-benzyl-5-ethyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrimidine-2,4-dione;hydrochloride with MolForge

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Related Compounds

1-benzyl-5-ethyl-3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]pyrimidine-2,4-dione
CID 70201571
1-benzyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6-dimethylpyrimidine-2,4-dione
CID 67596550
but-2-enedioic acid;3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5-methyl-1-(pyridin-2-ylmethyl)pyrimidine-2,4-dione
CID 70202405
1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2-methoxyphenyl)piperazine
CID 127033889
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 11575967
2-ethyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]phthalazine-1,4-dione
CID 110184124
1-benzyl-5,6-dimethyl-3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]pyrimidine-2,4-dione;hydrochloride
CID 70202757
7-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,3-dimethylpurine-2,6-dione;hydrochloride
CID 118724631
1-(furan-3-ylmethyl)-5-methyl-3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]pyrimidine-2,4-dione
CID 70201941
but-2-enedioic acid;5-methyl-1-(pyridin-4-ylmethyl)-3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]pyrimidine-2,4-dione
CID 70202167
2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]isoindole-1,3-dione
CID 139959232
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-ethyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrimidine-2,4-dione;hydrochloride?
The IUPAC name of 1-benzyl-5-ethyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrimidine-2,4-dione;hydrochloride (CID 70198103) is 1-benzyl-5-ethyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 1-benzyl-5-ethyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 1-benzyl-5-ethyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrimidine-2,4-dione;hydrochloride is CCc1cn(Cc2ccccc2)c(=O)n(CCCN2CCN(c3ccccc3OC)CC2)c1=O.Cl.
What is the InChIKey of 1-benzyl-5-ethyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrimidine-2,4-dione;hydrochloride?
The InChIKey is BHMMLCVAUOJENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O3.ClH/c1-3-23-21-30(20-22-10-5-4-6-11-22)27(33)31(26(23)32)15-9-14-28-16-18-29(19-17-28)24-12-7-8-13-25(24)34-2;/h4-8,10-13,21H,3,9,14-20H2,1-2H3;1H.
What are the key properties of 1-benzyl-5-ethyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrimidine-2,4-dione;hydrochloride?
1-benzyl-5-ethyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrimidine-2,4-dione;hydrochloride has a molecular weight of 499.06 g/mol, XLogP of 3.26, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-ethyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 70198103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).