4-methoxy-2-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]pyrimidine;hydrochloride

C25H27ClN4O3 — CID 24736160

IUPAC4-methoxy-2-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]pyrimidine;hydrochloride
SMILESCOc1ccnc(N2CCN(Cc3cc4cc(-c5ccccc5OC)ccc4o3)CC2)n1.Cl
InChIInChI=1S/C25H26N4O3.ClH/c1-30-23-6-4-3-5-21(23)18-7-8-22-19(15-18)16-20(32-22)17-28-11-13-29(14-12-28)25-26-10-9-24(27-25)31-2;/h3-10,15-16H,11-14,17H2,1-2H3;1H
InChIKeySEDINJAHDWJHJV-UHFFFAOYSA-N
MW466.97 g/mol
LogP4.65
Rot. Bonds6

About 4-methoxy-2-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]pyrimidine;hydrochloride

4-methoxy-2-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]pyrimidine;hydrochloride (PubChem CID 24736160) has the molecular formula C25H27ClN4O3 and a molecular weight of 466.97 g/mol. Its IUPAC name is 4-methoxy-2-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]pyrimidine;hydrochloride.

Molecular Properties

Compound Name4-methoxy-2-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]pyrimidine;hydrochloride
PubChem CID24736160
Molecular FormulaC25H27ClN4O3
Molecular Weight466.97 g/mol
Exact Mass466.18
IUPAC Name4-methoxy-2-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]pyrimidine;hydrochloride
SMILESCOc1ccnc(N2CCN(Cc3cc4cc(-c5ccccc5OC)ccc4o3)CC2)n1.Cl
InChIInChI=1S/C25H26N4O3.ClH/c1-30-23-6-4-3-5-21(23)18-7-8-22-19(15-18)16-20(32-22)17-28-11-13-29(14-12-28)25-26-10-9-24(27-25)31-2;/h3-10,15-16H,11-14,17H2,1-2H3;1H
InChIKeySEDINJAHDWJHJV-UHFFFAOYSA-N
XLogP4.65
TPSA63.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.97
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-methoxy-2-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]pyrimidine;hydrochloride with MolForge

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Related Compounds

4-methoxy-2-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]pyrimidine;hydrochloride
CID 24736231
1-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazine
CID 24736162
cyclopropyl-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]methanone
CID 24736139
1-(4-methoxyphenyl)-2-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone
CID 24736156
cyclopropyl-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]methanone
CID 24737245
4-methoxy-2-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]pyrimidine
CID 47528578
ethyl 2-[[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazine-1-carbonyl]amino]acetate
CID 24736149
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-4-methoxypyrimidine
CID 18095536
2-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-5-phenyl-1,3-thiazole
CID 126767686
4-methoxy-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
CID 154829857
3-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1-benzofuran-2-carboxylic acid
CID 138003725
(2R)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propan-2-ol
CID 133486239

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]pyrimidine;hydrochloride?
The IUPAC name of 4-methoxy-2-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]pyrimidine;hydrochloride (CID 24736160) is 4-methoxy-2-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]pyrimidine;hydrochloride.
What is the SMILES notation for 4-methoxy-2-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]pyrimidine;hydrochloride?
The canonical SMILES for 4-methoxy-2-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]pyrimidine;hydrochloride is COc1ccnc(N2CCN(Cc3cc4cc(-c5ccccc5OC)ccc4o3)CC2)n1.Cl.
What is the InChIKey of 4-methoxy-2-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]pyrimidine;hydrochloride?
The InChIKey is SEDINJAHDWJHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3.ClH/c1-30-23-6-4-3-5-21(23)18-7-8-22-19(15-18)16-20(32-22)17-28-11-13-29(14-12-28)25-26-10-9-24(27-25)31-2;/h3-10,15-16H,11-14,17H2,1-2H3;1H.
What are the key properties of 4-methoxy-2-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]pyrimidine;hydrochloride?
4-methoxy-2-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]pyrimidine;hydrochloride has a molecular weight of 466.97 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]pyrimidine;hydrochloride is sourced from PubChem (CID 24736160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).