4-[2-[3-(2-pyrimidin-4-ylethenyl)phenyl]ethenyl]pyrimidine

C18H14N4 — CID 127265152

IUPAC4-[2-[3-(2-pyrimidin-4-ylethenyl)phenyl]ethenyl]pyrimidine
SMILESC(=Cc1ccncn1)c1cccc(C=Cc2ccncn2)c1
InChIInChI=1S/C18H14N4/c1-2-15(4-6-17-8-10-19-13-21-17)12-16(3-1)5-7-18-9-11-20-14-22-18/h1-14H
InChIKeyVNAGXVMFQKGNBN-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.61
Rot. Bonds4

About 4-[2-[3-(2-pyrimidin-4-ylethenyl)phenyl]ethenyl]pyrimidine

4-[2-[3-(2-pyrimidin-4-ylethenyl)phenyl]ethenyl]pyrimidine (PubChem CID 127265152) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is 4-[2-[3-(2-pyrimidin-4-ylethenyl)phenyl]ethenyl]pyrimidine.

Molecular Properties

Compound Name4-[2-[3-(2-pyrimidin-4-ylethenyl)phenyl]ethenyl]pyrimidine
PubChem CID127265152
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name4-[2-[3-(2-pyrimidin-4-ylethenyl)phenyl]ethenyl]pyrimidine
SMILESC(=Cc1ccncn1)c1cccc(C=Cc2ccncn2)c1
InChIInChI=1S/C18H14N4/c1-2-15(4-6-17-8-10-19-13-21-17)12-16(3-1)5-7-18-9-11-20-14-22-18/h1-14H
InChIKeyVNAGXVMFQKGNBN-UHFFFAOYSA-N
XLogP3.61
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(E)-2-[3-[(E)-2-pyrimidin-4-ylethenyl]phenyl]ethenyl]pyrimidine
CID 15527806
2,2,2-trifluoro-N-[3-(2-pyrimidin-4-ylethenyl)phenyl]acetamide
CID 127264780
4-[(E)-2-(5-nitrothiophen-3-yl)ethenyl]pyrimidine
CID 86814374
4-[(E)-2-[4-(4-chloro-3-methylpyrazol-1-yl)phenyl]ethenyl]pyrimidine
CID 166359669
4-[(E)-2-[4-(4-methoxyphenyl)phenyl]ethenyl]pyrimidine
CID 57409110
4-ethenylpyrimidine
CID 10285785
CID 57408999
CID 57408999
2-[2-[3,5-bis(2-pyridin-2-ylethenyl)phenyl]ethenyl]pyridine
CID 5076981
3-[(E)-2-pyridin-2-ylethenyl]benzonitrile
CID 18763276
2-[(E)-2-(3-methylphenyl)ethenyl]pyridine
CID 5463079
4-[(Z)-2-(3-bromophenyl)ethenyl]pyridine
CID 10038211
2-[N-methyl-4-[(E)-2-pyrimidin-4-ylethenyl]anilino]ethanol
CID 121267836

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(2-pyrimidin-4-ylethenyl)phenyl]ethenyl]pyrimidine?
The IUPAC name of 4-[2-[3-(2-pyrimidin-4-ylethenyl)phenyl]ethenyl]pyrimidine (CID 127265152) is 4-[2-[3-(2-pyrimidin-4-ylethenyl)phenyl]ethenyl]pyrimidine.
What is the SMILES notation for 4-[2-[3-(2-pyrimidin-4-ylethenyl)phenyl]ethenyl]pyrimidine?
The canonical SMILES for 4-[2-[3-(2-pyrimidin-4-ylethenyl)phenyl]ethenyl]pyrimidine is C(=Cc1ccncn1)c1cccc(C=Cc2ccncn2)c1.
What is the InChIKey of 4-[2-[3-(2-pyrimidin-4-ylethenyl)phenyl]ethenyl]pyrimidine?
The InChIKey is VNAGXVMFQKGNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4/c1-2-15(4-6-17-8-10-19-13-21-17)12-16(3-1)5-7-18-9-11-20-14-22-18/h1-14H.
What are the key properties of 4-[2-[3-(2-pyrimidin-4-ylethenyl)phenyl]ethenyl]pyrimidine?
4-[2-[3-(2-pyrimidin-4-ylethenyl)phenyl]ethenyl]pyrimidine has a molecular weight of 286.34 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(2-pyrimidin-4-ylethenyl)phenyl]ethenyl]pyrimidine is sourced from PubChem (CID 127265152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).