4-(furan-2-yl)-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine

C17H18N4O2 — CID 10448104

IUPAC4-(furan-2-yl)-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2nc(-c3ccoc3)cc(-c3ccco3)n2)CC1
InChIInChI=1S/C17H18N4O2/c1-20-5-7-21(8-6-20)17-18-14(13-4-10-22-12-13)11-15(19-17)16-3-2-9-23-16/h2-4,9-12H,5-8H2,1H3
InChIKeyAKMGJJTVIPHEOZ-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.75
Rot. Bonds3

About 4-(furan-2-yl)-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine

4-(furan-2-yl)-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine (PubChem CID 10448104) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 4-(furan-2-yl)-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-(furan-2-yl)-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine
PubChem CID10448104
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name4-(furan-2-yl)-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2nc(-c3ccoc3)cc(-c3ccco3)n2)CC1
InChIInChI=1S/C17H18N4O2/c1-20-5-7-21(8-6-20)17-18-14(13-4-10-22-12-13)11-15(19-17)16-3-2-9-23-16/h2-4,9-12H,5-8H2,1H3
InChIKeyAKMGJJTVIPHEOZ-UHFFFAOYSA-N
XLogP2.75
TPSA58.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-(furan-2-yl)-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine (CID 10448104) is 4-(furan-2-yl)-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-(furan-2-yl)-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-(furan-2-yl)-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine is CN1CCN(c2nc(-c3ccoc3)cc(-c3ccco3)n2)CC1.
What is the InChIKey of 4-(furan-2-yl)-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine?
The InChIKey is AKMGJJTVIPHEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-20-5-7-21(8-6-20)17-18-14(13-4-10-22-12-13)11-15(19-17)16-3-2-9-23-16/h2-4,9-12H,5-8H2,1H3.
What are the key properties of 4-(furan-2-yl)-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine?
4-(furan-2-yl)-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine has a molecular weight of 310.36 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 10448104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).