(E)-3-(furan-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one

C15H16N4O2 — CID 896937

IUPAC(E)-3-(furan-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccco1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H16N4O2/c20-14(5-4-13-3-1-12-21-13)18-8-10-19(11-9-18)15-16-6-2-7-17-15/h1-7,12H,8-11H2/b5-4+
InChIKeyMWBWBHRTQPZSQJ-SNAWJCMRSA-N
MW284.32 g/mol
LogP1.43
Rot. Bonds3

About (E)-3-(furan-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one

(E)-3-(furan-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one (PubChem CID 896937) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one
PubChem CID896937
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name(E)-3-(furan-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccco1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H16N4O2/c20-14(5-4-13-3-1-12-21-13)18-8-10-19(11-9-18)15-16-6-2-7-17-15/h1-7,12H,8-11H2/b5-4+
InChIKeyMWBWBHRTQPZSQJ-SNAWJCMRSA-N
XLogP1.43
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-(furan-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one (CID 896937) is (E)-3-(furan-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(furan-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(furan-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one is O=C(/C=C/c1ccco1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (E)-3-(furan-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one?
The InChIKey is MWBWBHRTQPZSQJ-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H16N4O2/c20-14(5-4-13-3-1-12-21-13)18-8-10-19(11-9-18)15-16-6-2-7-17-15/h1-7,12H,8-11H2/b5-4+.
What are the key properties of (E)-3-(furan-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one?
(E)-3-(furan-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one has a molecular weight of 284.32 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one is sourced from PubChem (CID 896937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).