4-(1-benzofuran-2-yl)-2-(4-methylpiperazin-1-yl)-6-(1-methylpyrrol-2-yl)pyrimidine

C22H23N5O — CID 10833166

IUPAC4-(1-benzofuran-2-yl)-2-(4-methylpiperazin-1-yl)-6-(1-methylpyrrol-2-yl)pyrimidine
SMILESCN1CCN(c2nc(-c3cc4ccccc4o3)cc(-c3cccn3C)n2)CC1
InChIInChI=1S/C22H23N5O/c1-25-10-12-27(13-11-25)22-23-17(19-7-5-9-26(19)2)15-18(24-22)21-14-16-6-3-4-8-20(16)28-21/h3-9,14-15H,10-13H2,1-2H3
InChIKeyFQSQWQZKINICEB-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.65
Rot. Bonds3

About 4-(1-benzofuran-2-yl)-2-(4-methylpiperazin-1-yl)-6-(1-methylpyrrol-2-yl)pyrimidine

4-(1-benzofuran-2-yl)-2-(4-methylpiperazin-1-yl)-6-(1-methylpyrrol-2-yl)pyrimidine (PubChem CID 10833166) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-2-(4-methylpiperazin-1-yl)-6-(1-methylpyrrol-2-yl)pyrimidine.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-2-(4-methylpiperazin-1-yl)-6-(1-methylpyrrol-2-yl)pyrimidine
PubChem CID10833166
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name4-(1-benzofuran-2-yl)-2-(4-methylpiperazin-1-yl)-6-(1-methylpyrrol-2-yl)pyrimidine
SMILESCN1CCN(c2nc(-c3cc4ccccc4o3)cc(-c3cccn3C)n2)CC1
InChIInChI=1S/C22H23N5O/c1-25-10-12-27(13-11-25)22-23-17(19-7-5-9-26(19)2)15-18(24-22)21-14-16-6-3-4-8-20(16)28-21/h3-9,14-15H,10-13H2,1-2H3
InChIKeyFQSQWQZKINICEB-UHFFFAOYSA-N
XLogP3.65
TPSA50.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-2-(4-methylpiperazin-1-yl)-6-(1-methylpyrrol-2-yl)pyrimidine?
The IUPAC name of 4-(1-benzofuran-2-yl)-2-(4-methylpiperazin-1-yl)-6-(1-methylpyrrol-2-yl)pyrimidine (CID 10833166) is 4-(1-benzofuran-2-yl)-2-(4-methylpiperazin-1-yl)-6-(1-methylpyrrol-2-yl)pyrimidine.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-2-(4-methylpiperazin-1-yl)-6-(1-methylpyrrol-2-yl)pyrimidine?
The canonical SMILES for 4-(1-benzofuran-2-yl)-2-(4-methylpiperazin-1-yl)-6-(1-methylpyrrol-2-yl)pyrimidine is CN1CCN(c2nc(-c3cc4ccccc4o3)cc(-c3cccn3C)n2)CC1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-2-(4-methylpiperazin-1-yl)-6-(1-methylpyrrol-2-yl)pyrimidine?
The InChIKey is FQSQWQZKINICEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-25-10-12-27(13-11-25)22-23-17(19-7-5-9-26(19)2)15-18(24-22)21-14-16-6-3-4-8-20(16)28-21/h3-9,14-15H,10-13H2,1-2H3.
What are the key properties of 4-(1-benzofuran-2-yl)-2-(4-methylpiperazin-1-yl)-6-(1-methylpyrrol-2-yl)pyrimidine?
4-(1-benzofuran-2-yl)-2-(4-methylpiperazin-1-yl)-6-(1-methylpyrrol-2-yl)pyrimidine has a molecular weight of 373.46 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-2-(4-methylpiperazin-1-yl)-6-(1-methylpyrrol-2-yl)pyrimidine is sourced from PubChem (CID 10833166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).