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

C21H20N4O2 — CID 10498735

IUPAC4-(1-benzofuran-2-yl)-6-(furan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2nc(-c3ccco3)cc(-c3cc4ccccc4o3)n2)CC1
InChIInChI=1S/C21H20N4O2/c1-24-8-10-25(11-9-24)21-22-16(19-7-4-12-26-19)14-17(23-21)20-13-15-5-2-3-6-18(15)27-20/h2-7,12-14H,8-11H2,1H3
InChIKeyPJVFRIPYIBKTRY-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.90
Rot. Bonds3

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

4-(1-benzofuran-2-yl)-6-(furan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine (PubChem CID 10498735) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-6-(furan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-6-(furan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine
PubChem CID10498735
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name4-(1-benzofuran-2-yl)-6-(furan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2nc(-c3ccco3)cc(-c3cc4ccccc4o3)n2)CC1
InChIInChI=1S/C21H20N4O2/c1-24-8-10-25(11-9-24)21-22-16(19-7-4-12-26-19)14-17(23-21)20-13-15-5-2-3-6-18(15)27-20/h2-7,12-14H,8-11H2,1H3
InChIKeyPJVFRIPYIBKTRY-UHFFFAOYSA-N
XLogP3.90
TPSA58.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Pyrimidine-4-carboxamide, 26
CID 11220580
1-{(3s)-1-[4-(1-Benzofuran-2-Yl)pyrimidin-2-Yl]piperidin-3-Yl}-3-Ethyl-1,3-Dihydro-2h-Benzimidazol-2-One
CID 25198728
6-Benzofuran-2-yl-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 10471957
Pyrimidine-4-carboxamide, 112
CID 44520977
Pyrimidine-4-carboxamide, 113
CID 44520978
Pyrimidine-4-carboxamide, 114
CID 44520979
4-(1-Benzothiophen-2-yl)-6-(furan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine
CID 10785771
4-(1-Benzofuran-2-yl)-2-(4-methylpiperazin-1-yl)-6-(1-methylpyrrol-2-yl)pyrimidine
CID 10833166
2-amino-6-(furan-2-yl)-N-(3-methylbenzyl)pyrimidine-4-carboxamide
CID 11162618
2-amino-6-(furan-2-yl)-N-(3-methoxybenzyl)pyrimidine-4-carboxamide
CID 11381738
2-amino-6-(furan-2-yl)-N-(2-methylbenzyl)pyrimidine-4-carboxamide
CID 11392671
2-amino-6-(furan-2-yl)-N-(2-methoxybenzyl)pyrimidine-4-carboxamide
CID 11393155

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-6-(furan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-(1-benzofuran-2-yl)-6-(furan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine (CID 10498735) is 4-(1-benzofuran-2-yl)-6-(furan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-6-(furan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-(1-benzofuran-2-yl)-6-(furan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine is CN1CCN(c2nc(-c3ccco3)cc(-c3cc4ccccc4o3)n2)CC1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-6-(furan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine?
The InChIKey is PJVFRIPYIBKTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-24-8-10-25(11-9-24)21-22-16(19-7-4-12-26-19)14-17(23-21)20-13-15-5-2-3-6-18(15)27-20/h2-7,12-14H,8-11H2,1H3.
What are the key properties of 4-(1-benzofuran-2-yl)-6-(furan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine?
4-(1-benzofuran-2-yl)-6-(furan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine has a molecular weight of 360.42 g/mol, XLogP of 3.90, 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)-6-(furan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 10498735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).