4-fluoro-2-pyrimidin-2-ylpyrimidine

C8H5FN4 — CID 175085589

IUPAC4-fluoro-2-pyrimidin-2-ylpyrimidine
SMILESFc1ccnc(-c2ncccn2)n1
InChIInChI=1S/C8H5FN4/c9-6-2-5-12-8(13-6)7-10-3-1-4-11-7/h1-5H
InChIKeyJJHZDLPJRKZBGC-UHFFFAOYSA-N
MW176.15 g/mol
LogP1.07
Rot. Bonds1

About 4-fluoro-2-pyrimidin-2-ylpyrimidine

4-fluoro-2-pyrimidin-2-ylpyrimidine (PubChem CID 175085589) has the molecular formula C8H5FN4 and a molecular weight of 176.15 g/mol. Its IUPAC name is 4-fluoro-2-pyrimidin-2-ylpyrimidine.

Molecular Properties

Compound Name4-fluoro-2-pyrimidin-2-ylpyrimidine
PubChem CID175085589
Molecular FormulaC8H5FN4
Molecular Weight176.15 g/mol
Exact Mass176.05
IUPAC Name4-fluoro-2-pyrimidin-2-ylpyrimidine
SMILESFc1ccnc(-c2ncccn2)n1
InChIInChI=1S/C8H5FN4/c9-6-2-5-12-8(13-6)7-10-3-1-4-11-7/h1-5H
InChIKeyJJHZDLPJRKZBGC-UHFFFAOYSA-N
XLogP1.07
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.15
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-pyrimidin-2-ylpyrimidine?
The IUPAC name of 4-fluoro-2-pyrimidin-2-ylpyrimidine (CID 175085589) is 4-fluoro-2-pyrimidin-2-ylpyrimidine.
What is the SMILES notation for 4-fluoro-2-pyrimidin-2-ylpyrimidine?
The canonical SMILES for 4-fluoro-2-pyrimidin-2-ylpyrimidine is Fc1ccnc(-c2ncccn2)n1.
What is the InChIKey of 4-fluoro-2-pyrimidin-2-ylpyrimidine?
The InChIKey is JJHZDLPJRKZBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN4/c9-6-2-5-12-8(13-6)7-10-3-1-4-11-7/h1-5H.
What are the key properties of 4-fluoro-2-pyrimidin-2-ylpyrimidine?
4-fluoro-2-pyrimidin-2-ylpyrimidine has a molecular weight of 176.15 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-pyrimidin-2-ylpyrimidine is sourced from PubChem (CID 175085589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).