4-[2-[3-(1-benzothiophen-3-yl)propyl]piperazin-1-yl]-5-methoxypyrimidine

C20H24N4OS — CID 67651689

IUPAC4-[2-[3-(1-benzothiophen-3-yl)propyl]piperazin-1-yl]-5-methoxypyrimidine
SMILESCOc1cncnc1N1CCNCC1CCCc1csc2ccccc12
InChIInChI=1S/C20H24N4OS/c1-25-18-12-22-14-23-20(18)24-10-9-21-11-16(24)6-4-5-15-13-26-19-8-3-2-7-17(15)19/h2-3,7-8,12-14,16,21H,4-6,9-11H2,1H3
InChIKeyCDUVBVDSBSXRHH-UHFFFAOYSA-N
MW368.51 g/mol
LogP3.50
Rot. Bonds6

About 4-[2-[3-(1-benzothiophen-3-yl)propyl]piperazin-1-yl]-5-methoxypyrimidine

4-[2-[3-(1-benzothiophen-3-yl)propyl]piperazin-1-yl]-5-methoxypyrimidine (PubChem CID 67651689) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is 4-[2-[3-(1-benzothiophen-3-yl)propyl]piperazin-1-yl]-5-methoxypyrimidine.

Molecular Properties

Compound Name4-[2-[3-(1-benzothiophen-3-yl)propyl]piperazin-1-yl]-5-methoxypyrimidine
PubChem CID67651689
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC Name4-[2-[3-(1-benzothiophen-3-yl)propyl]piperazin-1-yl]-5-methoxypyrimidine
SMILESCOc1cncnc1N1CCNCC1CCCc1csc2ccccc12
InChIInChI=1S/C20H24N4OS/c1-25-18-12-22-14-23-20(18)24-10-9-21-11-16(24)6-4-5-15-13-26-19-8-3-2-7-17(15)19/h2-3,7-8,12-14,16,21H,4-6,9-11H2,1H3
InChIKeyCDUVBVDSBSXRHH-UHFFFAOYSA-N
XLogP3.50
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[3-(1-benzofuran-3-yl)propyl]piperazin-1-yl]-5-methoxypyrimidine;hydrochloride
CID 67651528
2-[3-(5-bromo-1-benzothiophen-3-yl)propyl]-1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride
CID 67650689
4-[4-[3-(1-benzothiophen-3-yl)propyl]-2-methylpiperazin-1-yl]-5-methoxypyrimidine;hydrochloride
CID 19081475
4-[2-[3-(5-fluoro-1-benzofuran-3-yl)propyl]piperazin-1-yl]-5-methoxypyrimidine;hydrochloride
CID 67651052
3-[2-(1-benzothiophen-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride
CID 67651694
2-(1-benzothiophen-3-yl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120733235
5-[2-[1-(1,2-benzothiazol-3-yl)piperazin-2-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one;hydrochloride
CID 142685251
3-(4-chlorobutyl)-1-benzothiophene
CID 64513988
4-(1-benzothiophen-3-yl)-1-(1,4-diazepan-1-yl)butan-1-one;hydrochloride
CID 119417625
6-(3,4-dimethoxyphenyl)-4-[2-(naphthalen-1-ylmethyl)piperazin-1-yl]pteridin-2-amine
CID 69449995
4-(2-methylpiperazin-1-yl)quinazoline
CID 62673888
3-(1-benzothiophen-3-ylmethoxy)pyrrolidine
CID 63737908

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(1-benzothiophen-3-yl)propyl]piperazin-1-yl]-5-methoxypyrimidine?
The IUPAC name of 4-[2-[3-(1-benzothiophen-3-yl)propyl]piperazin-1-yl]-5-methoxypyrimidine (CID 67651689) is 4-[2-[3-(1-benzothiophen-3-yl)propyl]piperazin-1-yl]-5-methoxypyrimidine.
What is the SMILES notation for 4-[2-[3-(1-benzothiophen-3-yl)propyl]piperazin-1-yl]-5-methoxypyrimidine?
The canonical SMILES for 4-[2-[3-(1-benzothiophen-3-yl)propyl]piperazin-1-yl]-5-methoxypyrimidine is COc1cncnc1N1CCNCC1CCCc1csc2ccccc12.
What is the InChIKey of 4-[2-[3-(1-benzothiophen-3-yl)propyl]piperazin-1-yl]-5-methoxypyrimidine?
The InChIKey is CDUVBVDSBSXRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-25-18-12-22-14-23-20(18)24-10-9-21-11-16(24)6-4-5-15-13-26-19-8-3-2-7-17(15)19/h2-3,7-8,12-14,16,21H,4-6,9-11H2,1H3.
What are the key properties of 4-[2-[3-(1-benzothiophen-3-yl)propyl]piperazin-1-yl]-5-methoxypyrimidine?
4-[2-[3-(1-benzothiophen-3-yl)propyl]piperazin-1-yl]-5-methoxypyrimidine has a molecular weight of 368.51 g/mol, XLogP of 3.50, 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-benzothiophen-3-yl)propyl]piperazin-1-yl]-5-methoxypyrimidine is sourced from PubChem (CID 67651689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).