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

Msx-122
CID 11687907
4-Phenylpyrimidine
CID 18923
2-Amino-4-phenylpyrimidine
CID 598777
5-Phenyl-2,4-pyrimidinediamine
CID 134761
5-(Phenylethynyl)pyrimidine
CID 4074142
5-Methyl-4-phenylpyrimidin-2-amine
CID 317238
4-(4-Phenylphenyl)pyrimidine
CID 817541
5-((3-(Trifluoromethyl)phenyl)methyl)-2,4-pyrimidinediamine
CID 579834
4-(Pyridin-3-yl)pyrimidin-2-amine
CID 12450582
6-(2,6-Dimethylphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine
CID 5328116
2-(4-Methylpiperazin-1-yl)-4-phenylpyrimidine
CID 10332554
6-Ethyl-5-{3-[3-(Pyrimidin-5-Yl)phenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 71737834

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).