2-chloro-5-[3-(2-chloropyrimidin-5-yl)phenyl]pyrimidine

C14H8Cl2N4 — CID 139238694

IUPAC2-chloro-5-[3-(2-chloropyrimidin-5-yl)phenyl]pyrimidine
SMILESClc1ncc(-c2cccc(-c3cnc(Cl)nc3)c2)cn1
InChIInChI=1S/C14H8Cl2N4/c15-13-17-5-11(6-18-13)9-2-1-3-10(4-9)12-7-19-14(16)20-8-12/h1-8H
InChIKeyYNGUWWWDXWFICT-UHFFFAOYSA-N
MW303.15 g/mol
LogP3.91
Rot. Bonds2

About 2-chloro-5-[3-(2-chloropyrimidin-5-yl)phenyl]pyrimidine

2-chloro-5-[3-(2-chloropyrimidin-5-yl)phenyl]pyrimidine (PubChem CID 139238694) has the molecular formula C14H8Cl2N4 and a molecular weight of 303.15 g/mol. Its IUPAC name is 2-chloro-5-[3-(2-chloropyrimidin-5-yl)phenyl]pyrimidine.

Molecular Properties

Compound Name2-chloro-5-[3-(2-chloropyrimidin-5-yl)phenyl]pyrimidine
PubChem CID139238694
Molecular FormulaC14H8Cl2N4
Molecular Weight303.15 g/mol
Exact Mass302.01
IUPAC Name2-chloro-5-[3-(2-chloropyrimidin-5-yl)phenyl]pyrimidine
SMILESClc1ncc(-c2cccc(-c3cnc(Cl)nc3)c2)cn1
InChIInChI=1S/C14H8Cl2N4/c15-13-17-5-11(6-18-13)9-2-1-3-10(4-9)12-7-19-14(16)20-8-12/h1-8H
InChIKeyYNGUWWWDXWFICT-UHFFFAOYSA-N
XLogP3.91
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.15
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[3-(2-chloropyrimidin-5-yl)phenyl]pyrimidine?
The IUPAC name of 2-chloro-5-[3-(2-chloropyrimidin-5-yl)phenyl]pyrimidine (CID 139238694) is 2-chloro-5-[3-(2-chloropyrimidin-5-yl)phenyl]pyrimidine.
What is the SMILES notation for 2-chloro-5-[3-(2-chloropyrimidin-5-yl)phenyl]pyrimidine?
The canonical SMILES for 2-chloro-5-[3-(2-chloropyrimidin-5-yl)phenyl]pyrimidine is Clc1ncc(-c2cccc(-c3cnc(Cl)nc3)c2)cn1.
What is the InChIKey of 2-chloro-5-[3-(2-chloropyrimidin-5-yl)phenyl]pyrimidine?
The InChIKey is YNGUWWWDXWFICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N4/c15-13-17-5-11(6-18-13)9-2-1-3-10(4-9)12-7-19-14(16)20-8-12/h1-8H.
What are the key properties of 2-chloro-5-[3-(2-chloropyrimidin-5-yl)phenyl]pyrimidine?
2-chloro-5-[3-(2-chloropyrimidin-5-yl)phenyl]pyrimidine has a molecular weight of 303.15 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[3-(2-chloropyrimidin-5-yl)phenyl]pyrimidine is sourced from PubChem (CID 139238694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).