4-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine

C21H20N4OS — CID 10785771

IUPAC4-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2nc(-c3ccco3)cc(-c3cc4ccccc4s3)n2)CC1
InChIInChI=1S/C21H20N4OS/c1-24-8-10-25(11-9-24)21-22-16(18-6-4-12-26-18)14-17(23-21)20-13-15-5-2-3-7-19(15)27-20/h2-7,12-14H,8-11H2,1H3
InChIKeyXBZDHWYSUZYKGR-UHFFFAOYSA-N
MW376.49 g/mol
LogP4.37
Rot. Bonds3

About 4-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine

4-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine (PubChem CID 10785771) has the molecular formula C21H20N4OS and a molecular weight of 376.49 g/mol. Its IUPAC name is 4-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine
PubChem CID10785771
Molecular FormulaC21H20N4OS
Molecular Weight376.49 g/mol
Exact Mass376.14
IUPAC Name4-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2nc(-c3ccco3)cc(-c3cc4ccccc4s3)n2)CC1
InChIInChI=1S/C21H20N4OS/c1-24-8-10-25(11-9-24)21-22-16(18-6-4-12-26-18)14-17(23-21)20-13-15-5-2-3-7-19(15)27-20/h2-7,12-14H,8-11H2,1H3
InChIKeyXBZDHWYSUZYKGR-UHFFFAOYSA-N
XLogP4.37
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine (CID 10785771) is 4-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine is CN1CCN(c2nc(-c3ccco3)cc(-c3cc4ccccc4s3)n2)CC1.
What is the InChIKey of 4-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine?
The InChIKey is XBZDHWYSUZYKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4OS/c1-24-8-10-25(11-9-24)21-22-16(18-6-4-12-26-18)14-17(23-21)20-13-15-5-2-3-7-19(15)27-20/h2-7,12-14H,8-11H2,1H3.
What are the key properties of 4-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine?
4-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine has a molecular weight of 376.49 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 10785771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).