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

C17H24N4O — CID 132525570

IUPAC4-butyl-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine
SMILESCCCCc1cc(-c2ccoc2)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C17H24N4O/c1-3-4-5-15-12-16(14-6-11-22-13-14)19-17(18-15)21-9-7-20(2)8-10-21/h6,11-13H,3-5,7-10H2,1-2H3
InChIKeyHLPZIBGYIXVOLZ-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.83
Rot. Bonds5

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

4-butyl-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine (PubChem CID 132525570) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 4-butyl-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-butyl-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine
PubChem CID132525570
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name4-butyl-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine
SMILESCCCCc1cc(-c2ccoc2)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C17H24N4O/c1-3-4-5-15-12-16(14-6-11-22-13-14)19-17(18-15)21-9-7-20(2)8-10-21/h6,11-13H,3-5,7-10H2,1-2H3
InChIKeyHLPZIBGYIXVOLZ-UHFFFAOYSA-N
XLogP2.83
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-butyl-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine (CID 132525570) is 4-butyl-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-butyl-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-butyl-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine is CCCCc1cc(-c2ccoc2)nc(N2CCN(C)CC2)n1.
What is the InChIKey of 4-butyl-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine?
The InChIKey is HLPZIBGYIXVOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-3-4-5-15-12-16(14-6-11-22-13-14)19-17(18-15)21-9-7-20(2)8-10-21/h6,11-13H,3-5,7-10H2,1-2H3.
What are the key properties of 4-butyl-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine?
4-butyl-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine has a molecular weight of 300.41 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 132525570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).