(5Z,6E)-6-ethylidene-4-phenyl-5-prop-2-enylidenefuro[2,3-d]pyrimidine

C17H14N2O — CID 167165100

IUPAC(5Z,6E)-6-ethylidene-4-phenyl-5-prop-2-enylidenefuro[2,3-d]pyrimidine
SMILESC=C/C=c1\c(=C/C)oc2ncnc(-c3ccccc3)c12
InChIInChI=1S/C17H14N2O/c1-3-8-13-14(4-2)20-17-15(13)16(18-11-19-17)12-9-6-5-7-10-12/h3-11H,1H2,2H3/b13-8+,14-4+
InChIKeyAEHUXPDUPQMUKX-WVPIJKBQSA-N
MW262.31 g/mol
LogP2.66
Rot. Bonds2

About (5Z,6E)-6-ethylidene-4-phenyl-5-prop-2-enylidenefuro[2,3-d]pyrimidine

(5Z,6E)-6-ethylidene-4-phenyl-5-prop-2-enylidenefuro[2,3-d]pyrimidine (PubChem CID 167165100) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is (5Z,6E)-6-ethylidene-4-phenyl-5-prop-2-enylidenefuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name(5Z,6E)-6-ethylidene-4-phenyl-5-prop-2-enylidenefuro[2,3-d]pyrimidine
PubChem CID167165100
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name(5Z,6E)-6-ethylidene-4-phenyl-5-prop-2-enylidenefuro[2,3-d]pyrimidine
SMILESC=C/C=c1\c(=C/C)oc2ncnc(-c3ccccc3)c12
InChIInChI=1S/C17H14N2O/c1-3-8-13-14(4-2)20-17-15(13)16(18-11-19-17)12-9-6-5-7-10-12/h3-11H,1H2,2H3/b13-8+,14-4+
InChIKeyAEHUXPDUPQMUKX-WVPIJKBQSA-N
XLogP2.66
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5Z,6E)-6-ethylidene-4-phenyl-5-prop-2-enylidenefuro[2,3-d]pyrimidine?
The IUPAC name of (5Z,6E)-6-ethylidene-4-phenyl-5-prop-2-enylidenefuro[2,3-d]pyrimidine (CID 167165100) is (5Z,6E)-6-ethylidene-4-phenyl-5-prop-2-enylidenefuro[2,3-d]pyrimidine.
What is the SMILES notation for (5Z,6E)-6-ethylidene-4-phenyl-5-prop-2-enylidenefuro[2,3-d]pyrimidine?
The canonical SMILES for (5Z,6E)-6-ethylidene-4-phenyl-5-prop-2-enylidenefuro[2,3-d]pyrimidine is C=C/C=c1\c(=C/C)oc2ncnc(-c3ccccc3)c12.
What is the InChIKey of (5Z,6E)-6-ethylidene-4-phenyl-5-prop-2-enylidenefuro[2,3-d]pyrimidine?
The InChIKey is AEHUXPDUPQMUKX-WVPIJKBQSA-N. The full InChI is InChI=1S/C17H14N2O/c1-3-8-13-14(4-2)20-17-15(13)16(18-11-19-17)12-9-6-5-7-10-12/h3-11H,1H2,2H3/b13-8+,14-4+.
What are the key properties of (5Z,6E)-6-ethylidene-4-phenyl-5-prop-2-enylidenefuro[2,3-d]pyrimidine?
(5Z,6E)-6-ethylidene-4-phenyl-5-prop-2-enylidenefuro[2,3-d]pyrimidine has a molecular weight of 262.31 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6E)-6-ethylidene-4-phenyl-5-prop-2-enylidenefuro[2,3-d]pyrimidine is sourced from PubChem (CID 167165100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).