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

C15H20N4O — CID 132525569

IUPAC4-ethyl-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine
SMILESCCc1cc(-c2ccoc2)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C15H20N4O/c1-3-13-10-14(12-4-9-20-11-12)17-15(16-13)19-7-5-18(2)6-8-19/h4,9-11H,3,5-8H2,1-2H3
InChIKeyGOZPYYFAYISDDO-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.05
Rot. Bonds3

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

4-ethyl-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine (PubChem CID 132525569) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-ethyl-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-ethyl-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine
PubChem CID132525569
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-ethyl-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine
SMILESCCc1cc(-c2ccoc2)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C15H20N4O/c1-3-13-10-14(12-4-9-20-11-12)17-15(16-13)19-7-5-18(2)6-8-19/h4,9-11H,3,5-8H2,1-2H3
InChIKeyGOZPYYFAYISDDO-UHFFFAOYSA-N
XLogP2.05
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-ethyl-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine (CID 132525569) is 4-ethyl-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-ethyl-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-ethyl-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine is CCc1cc(-c2ccoc2)nc(N2CCN(C)CC2)n1.
What is the InChIKey of 4-ethyl-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine?
The InChIKey is GOZPYYFAYISDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-13-10-14(12-4-9-20-11-12)17-15(16-13)19-7-5-18(2)6-8-19/h4,9-11H,3,5-8H2,1-2H3.
What are the key properties of 4-ethyl-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine?
4-ethyl-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine has a molecular weight of 272.35 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 132525569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).