4-(furan-2-yl)-5-[(E)-2-(4-phenylphenyl)ethenyl]pyrimidine

C22H16N2O — CID 90682914

IUPAC4-(furan-2-yl)-5-[(E)-2-(4-phenylphenyl)ethenyl]pyrimidine
SMILESC(=C/c1cncnc1-c1ccco1)\c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H16N2O/c1-2-5-18(6-3-1)19-11-8-17(9-12-19)10-13-20-15-23-16-24-22(20)21-7-4-14-25-21/h1-16H/b13-10+
InChIKeySJYFTSNWNGUCJI-JLHYYAGUSA-N
MW324.38 g/mol
LogP5.57
Rot. Bonds4

About 4-(furan-2-yl)-5-[(E)-2-(4-phenylphenyl)ethenyl]pyrimidine

4-(furan-2-yl)-5-[(E)-2-(4-phenylphenyl)ethenyl]pyrimidine (PubChem CID 90682914) has the molecular formula C22H16N2O and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-(furan-2-yl)-5-[(E)-2-(4-phenylphenyl)ethenyl]pyrimidine.

Molecular Properties

Compound Name4-(furan-2-yl)-5-[(E)-2-(4-phenylphenyl)ethenyl]pyrimidine
PubChem CID90682914
Molecular FormulaC22H16N2O
Molecular Weight324.38 g/mol
Exact Mass324.13
IUPAC Name4-(furan-2-yl)-5-[(E)-2-(4-phenylphenyl)ethenyl]pyrimidine
SMILESC(=C/c1cncnc1-c1ccco1)\c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H16N2O/c1-2-5-18(6-3-1)19-11-8-17(9-12-19)10-13-20-15-23-16-24-22(20)21-7-4-14-25-21/h1-16H/b13-10+
InChIKeySJYFTSNWNGUCJI-JLHYYAGUSA-N
XLogP5.57
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.38
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Las-38096
CID 11716665
Pyrimidine-4-carboxamide, 26
CID 11220580
5,6-Dihydrofuro[2,3-h]quinazolin-2-amine
CID 1478697
4-(2-furyl)-2-(1H-pyrrol-1-yl)pyrimidine
CID 1481666
1-[4-(2-furyl)-2-pyrimidinyl]-1H-pyrrole-2-carbaldehyde
CID 1481670
4-(2-Furyl)-2-(4-pyridinyl)pyrimidine
CID 1485448
N-(7-(furan-2-yl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-4-methylbenzamide
CID 663468
N-{5-oxo-7-[4-(propan-2-yl)phenyl]-5,6,7,8-tetrahydroquinazolin-2-yl}furan-2-carboxamide
CID 3365540
4-(1-Benzofuran-2-yl)-2-(4-methylpiperazin-1-yl)-6-(1-methylpyrrol-2-yl)pyrimidine
CID 10833166
2-Amino-4-furan-2-yl-6-phenyl-pyrimidine-5-carbonitrile
CID 9813876
5-[2-amino-4-(2-furyl)pyrimidin-5-yl]-1-methylpyridin-2(1H)-one
CID 9814006
7-(2-fluorobenzyl)-4-(2-furyl)-7H-pyrrolo[2,3-d]pyrimidine-2-amine
CID 9904688

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-5-[(E)-2-(4-phenylphenyl)ethenyl]pyrimidine?
The IUPAC name of 4-(furan-2-yl)-5-[(E)-2-(4-phenylphenyl)ethenyl]pyrimidine (CID 90682914) is 4-(furan-2-yl)-5-[(E)-2-(4-phenylphenyl)ethenyl]pyrimidine.
What is the SMILES notation for 4-(furan-2-yl)-5-[(E)-2-(4-phenylphenyl)ethenyl]pyrimidine?
The canonical SMILES for 4-(furan-2-yl)-5-[(E)-2-(4-phenylphenyl)ethenyl]pyrimidine is C(=C/c1cncnc1-c1ccco1)\c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-(furan-2-yl)-5-[(E)-2-(4-phenylphenyl)ethenyl]pyrimidine?
The InChIKey is SJYFTSNWNGUCJI-JLHYYAGUSA-N. The full InChI is InChI=1S/C22H16N2O/c1-2-5-18(6-3-1)19-11-8-17(9-12-19)10-13-20-15-23-16-24-22(20)21-7-4-14-25-21/h1-16H/b13-10+.
What are the key properties of 4-(furan-2-yl)-5-[(E)-2-(4-phenylphenyl)ethenyl]pyrimidine?
4-(furan-2-yl)-5-[(E)-2-(4-phenylphenyl)ethenyl]pyrimidine has a molecular weight of 324.38 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-5-[(E)-2-(4-phenylphenyl)ethenyl]pyrimidine is sourced from PubChem (CID 90682914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).