4-[2-[3-(1-benzofuran-3-yl)propyl]piperazin-1-yl]-5-methoxypyrimidine;hydrochloride

C20H25ClN4O2 — CID 67651528

IUPAC4-[2-[3-(1-benzofuran-3-yl)propyl]piperazin-1-yl]-5-methoxypyrimidine;hydrochloride
SMILESCOc1cncnc1N1CCNCC1CCCc1coc2ccccc12.Cl
InChIInChI=1S/C20H24N4O2.ClH/c1-25-19-12-22-14-23-20(19)24-10-9-21-11-16(24)6-4-5-15-13-26-18-8-3-2-7-17(15)18;/h2-3,7-8,12-14,16,21H,4-6,9-11H2,1H3;1H
InChIKeyYUIWHUQQMFUZNA-UHFFFAOYSA-N
MW388.90 g/mol
LogP3.45
Rot. Bonds6

About 4-[2-[3-(1-benzofuran-3-yl)propyl]piperazin-1-yl]-5-methoxypyrimidine;hydrochloride

4-[2-[3-(1-benzofuran-3-yl)propyl]piperazin-1-yl]-5-methoxypyrimidine;hydrochloride (PubChem CID 67651528) has the molecular formula C20H25ClN4O2 and a molecular weight of 388.90 g/mol. Its IUPAC name is 4-[2-[3-(1-benzofuran-3-yl)propyl]piperazin-1-yl]-5-methoxypyrimidine;hydrochloride.

Molecular Properties

Compound Name4-[2-[3-(1-benzofuran-3-yl)propyl]piperazin-1-yl]-5-methoxypyrimidine;hydrochloride
PubChem CID67651528
Molecular FormulaC20H25ClN4O2
Molecular Weight388.90 g/mol
Exact Mass388.17
IUPAC Name4-[2-[3-(1-benzofuran-3-yl)propyl]piperazin-1-yl]-5-methoxypyrimidine;hydrochloride
SMILESCOc1cncnc1N1CCNCC1CCCc1coc2ccccc12.Cl
InChIInChI=1S/C20H24N4O2.ClH/c1-25-19-12-22-14-23-20(19)24-10-9-21-11-16(24)6-4-5-15-13-26-18-8-3-2-7-17(15)18;/h2-3,7-8,12-14,16,21H,4-6,9-11H2,1H3;1H
InChIKeyYUIWHUQQMFUZNA-UHFFFAOYSA-N
XLogP3.45
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[3-(5-fluoro-1-benzofuran-3-yl)propyl]piperazin-1-yl]-5-methoxypyrimidine;hydrochloride
CID 67651052
4-[2-[3-(1-benzothiophen-3-yl)propyl]piperazin-1-yl]-5-methoxypyrimidine
CID 67651689
2-[3-(5-bromo-1-benzothiophen-3-yl)propyl]-1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride
CID 67650689
1-(1-benzofuran-3-ylmethyl)-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910679
4-[4-[3-(1-benzothiophen-3-yl)propyl]-2-methylpiperazin-1-yl]-5-methoxypyrimidine;hydrochloride
CID 19081475
3-(6-methoxyhexyl)-1-benzofuran
CID 67274703
1-(3-methoxy-2-pyridinyl)-2-methylpiperazine;hydrochloride
CID 162079828
6-(3,4-dimethoxyphenyl)-4-[2-(naphthalen-1-ylmethyl)piperazin-1-yl]pteridin-2-amine
CID 69449995
ethyl 1-(1-benzofuran-3-ylmethyl)piperazine-2-carboxylate
CID 80702284
4-(2-methylpiperazin-1-yl)quinazoline
CID 62673888
3-(1-benzofuran-3-ylmethyl)azetidine
CID 80700831
4-(2-ethylpiperazin-1-yl)-6-methoxy-5-methylpyrimidine
CID 66327162

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(1-benzofuran-3-yl)propyl]piperazin-1-yl]-5-methoxypyrimidine;hydrochloride?
The IUPAC name of 4-[2-[3-(1-benzofuran-3-yl)propyl]piperazin-1-yl]-5-methoxypyrimidine;hydrochloride (CID 67651528) is 4-[2-[3-(1-benzofuran-3-yl)propyl]piperazin-1-yl]-5-methoxypyrimidine;hydrochloride.
What is the SMILES notation for 4-[2-[3-(1-benzofuran-3-yl)propyl]piperazin-1-yl]-5-methoxypyrimidine;hydrochloride?
The canonical SMILES for 4-[2-[3-(1-benzofuran-3-yl)propyl]piperazin-1-yl]-5-methoxypyrimidine;hydrochloride is COc1cncnc1N1CCNCC1CCCc1coc2ccccc12.Cl.
What is the InChIKey of 4-[2-[3-(1-benzofuran-3-yl)propyl]piperazin-1-yl]-5-methoxypyrimidine;hydrochloride?
The InChIKey is YUIWHUQQMFUZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2.ClH/c1-25-19-12-22-14-23-20(19)24-10-9-21-11-16(24)6-4-5-15-13-26-18-8-3-2-7-17(15)18;/h2-3,7-8,12-14,16,21H,4-6,9-11H2,1H3;1H.
What are the key properties of 4-[2-[3-(1-benzofuran-3-yl)propyl]piperazin-1-yl]-5-methoxypyrimidine;hydrochloride?
4-[2-[3-(1-benzofuran-3-yl)propyl]piperazin-1-yl]-5-methoxypyrimidine;hydrochloride has a molecular weight of 388.90 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(1-benzofuran-3-yl)propyl]piperazin-1-yl]-5-methoxypyrimidine;hydrochloride is sourced from PubChem (CID 67651528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).