2-[3,5-di(pyrimidin-2-yl)phenyl]pyrimidine

C18H12N6 — CID 59133455

IUPAC2-[3,5-di(pyrimidin-2-yl)phenyl]pyrimidine
SMILESc1cnc(-c2cc(-c3ncccn3)cc(-c3ncccn3)c2)nc1
InChIInChI=1S/C18H12N6/c1-4-19-16(20-5-1)13-10-14(17-21-6-2-7-22-17)12-15(11-13)18-23-8-3-9-24-18/h1-12H
InChIKeyVGOFRNHFDUPOLU-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.06
Rot. Bonds3

About 2-[3,5-di(pyrimidin-2-yl)phenyl]pyrimidine

2-[3,5-di(pyrimidin-2-yl)phenyl]pyrimidine (PubChem CID 59133455) has the molecular formula C18H12N6 and a molecular weight of 312.34 g/mol. Its IUPAC name is 2-[3,5-di(pyrimidin-2-yl)phenyl]pyrimidine.

Molecular Properties

Compound Name2-[3,5-di(pyrimidin-2-yl)phenyl]pyrimidine
PubChem CID59133455
Molecular FormulaC18H12N6
Molecular Weight312.34 g/mol
Exact Mass312.11
IUPAC Name2-[3,5-di(pyrimidin-2-yl)phenyl]pyrimidine
SMILESc1cnc(-c2cc(-c3ncccn3)cc(-c3ncccn3)c2)nc1
InChIInChI=1S/C18H12N6/c1-4-19-16(20-5-1)13-10-14(17-21-6-2-7-22-17)12-15(11-13)18-23-8-3-9-24-18/h1-12H
InChIKeyVGOFRNHFDUPOLU-UHFFFAOYSA-N
XLogP3.06
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methylpropane;2-(3-pyrimidin-2-ylphenyl)pyrimidine
CID 158374042
2-[3,5-bis(trifluoromethyl)phenyl]pyrimidine
CID 54057342
2-phenylpyrimidine
CID 593578
2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 58382636
2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 58382639
2-(3,4-dibromophenyl)pyrimidine
CID 66927296
2-(3-bromophenyl)pyrimidine
CID 26967381
2-(3-triphenylen-2-ylphenyl)pyrimidine
CID 158485358
2,4-diphenyl-6-[3-(4-pyrimidin-2-ylphenyl)phenyl]-1,3,5-triazine
CID 130184133
2-[3-(10-bromoanthracen-9-yl)-5-phenylphenyl]pyrimidine
CID 174496201
2-[3-methyl-5-(4-methylnaphthalen-1-yl)phenyl]pyrimidine
CID 156551184
10-[3,5-di(pyrimidin-2-yl)phenyl]phenoxazine
CID 58251203

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-di(pyrimidin-2-yl)phenyl]pyrimidine?
The IUPAC name of 2-[3,5-di(pyrimidin-2-yl)phenyl]pyrimidine (CID 59133455) is 2-[3,5-di(pyrimidin-2-yl)phenyl]pyrimidine.
What is the SMILES notation for 2-[3,5-di(pyrimidin-2-yl)phenyl]pyrimidine?
The canonical SMILES for 2-[3,5-di(pyrimidin-2-yl)phenyl]pyrimidine is c1cnc(-c2cc(-c3ncccn3)cc(-c3ncccn3)c2)nc1.
What is the InChIKey of 2-[3,5-di(pyrimidin-2-yl)phenyl]pyrimidine?
The InChIKey is VGOFRNHFDUPOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N6/c1-4-19-16(20-5-1)13-10-14(17-21-6-2-7-22-17)12-15(11-13)18-23-8-3-9-24-18/h1-12H.
What are the key properties of 2-[3,5-di(pyrimidin-2-yl)phenyl]pyrimidine?
2-[3,5-di(pyrimidin-2-yl)phenyl]pyrimidine has a molecular weight of 312.34 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-di(pyrimidin-2-yl)phenyl]pyrimidine is sourced from PubChem (CID 59133455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).