5-(3-pyrimidin-5-ylphenyl)pyrimidine

C14H10N4 — CID 101127667

IUPAC5-(3-pyrimidin-5-ylphenyl)pyrimidine
SMILESc1cc(-c2cncnc2)cc(-c2cncnc2)c1
InChIInChI=1S/C14H10N4/c1-2-11(13-5-15-9-16-6-13)4-12(3-1)14-7-17-10-18-8-14/h1-10H
InChIKeyOVLBXTSTXLBIDW-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.60
Rot. Bonds2

About 5-(3-pyrimidin-5-ylphenyl)pyrimidine

5-(3-pyrimidin-5-ylphenyl)pyrimidine (PubChem CID 101127667) has the molecular formula C14H10N4 and a molecular weight of 234.26 g/mol. Its IUPAC name is 5-(3-pyrimidin-5-ylphenyl)pyrimidine.

Molecular Properties

Compound Name5-(3-pyrimidin-5-ylphenyl)pyrimidine
PubChem CID101127667
Molecular FormulaC14H10N4
Molecular Weight234.26 g/mol
Exact Mass234.09
IUPAC Name5-(3-pyrimidin-5-ylphenyl)pyrimidine
SMILESc1cc(-c2cncnc2)cc(-c2cncnc2)c1
InChIInChI=1S/C14H10N4/c1-2-11(13-5-15-9-16-6-13)4-12(3-1)14-7-17-10-18-8-14/h1-10H
InChIKeyOVLBXTSTXLBIDW-UHFFFAOYSA-N
XLogP2.60
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-pyrimidin-5-ylaniline
CID 7162049
5-[3-[3-[3-pyridin-3-yl-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyrimidine
CID 164785648
5-[3,5-bis[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyrimidine;5-[3,5-bis[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]pyrimidine;5-[3,5-bis[3-(3-pyrimidin-5-ylphenyl)phenyl]phenyl]pyrimidine
CID 165097309
5-[3-[3-[3-phenanthren-9-yl-5-[3-(3-pyrimidin-5-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyrimidine
CID 155116803
5-[5-[3-(3-pyrimidin-5-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyrimidine
CID 118529655
2-[3,5-bis[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]-4,6-diphenylpyrimidine;2-[3,5-bis[3-(3-pyrimidin-5-ylphenyl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 165022370
benzene;3-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 158338475
5-[3-[3-[3-[3-phenyl-5-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine;5-[3-[3-[3-[3-pyridin-3-yl-5-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine
CID 165106761
2,3,8,9-tetramethyl-1,7-bis(3-pyrimidin-5-ylphenyl)quinolino[8,7-h]quinoline
CID 118603248
bicyclo[3.1.0]hexa-1(6),2,4-triene;hydroiodide
CID 174338176
5-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]pyrimidine
CID 129292671
3-bromo-5-[3-(5-bromo-3-pyridinyl)phenyl]pyridine
CID 58321914

Frequently Asked Questions

What is the IUPAC name of 5-(3-pyrimidin-5-ylphenyl)pyrimidine?
The IUPAC name of 5-(3-pyrimidin-5-ylphenyl)pyrimidine (CID 101127667) is 5-(3-pyrimidin-5-ylphenyl)pyrimidine.
What is the SMILES notation for 5-(3-pyrimidin-5-ylphenyl)pyrimidine?
The canonical SMILES for 5-(3-pyrimidin-5-ylphenyl)pyrimidine is c1cc(-c2cncnc2)cc(-c2cncnc2)c1.
What is the InChIKey of 5-(3-pyrimidin-5-ylphenyl)pyrimidine?
The InChIKey is OVLBXTSTXLBIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4/c1-2-11(13-5-15-9-16-6-13)4-12(3-1)14-7-17-10-18-8-14/h1-10H.
What are the key properties of 5-(3-pyrimidin-5-ylphenyl)pyrimidine?
5-(3-pyrimidin-5-ylphenyl)pyrimidine has a molecular weight of 234.26 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-pyrimidin-5-ylphenyl)pyrimidine is sourced from PubChem (CID 101127667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).