2-chloro-5-fluoro-N-pyrrol-1-ylpyrimidin-4-amine

C8H6ClFN4 — CID 22060431

IUPAC2-chloro-5-fluoro-N-pyrrol-1-ylpyrimidin-4-amine
SMILESFc1cnc(Cl)nc1Nn1cccc1
InChIInChI=1S/C8H6ClFN4/c9-8-11-5-6(10)7(12-8)13-14-3-1-2-4-14/h1-5H,(H,11,12,13)
InChIKeyGBJJGYVVHYTHMF-UHFFFAOYSA-N
MW212.62 g/mol
LogP1.95
Rot. Bonds2

About 2-chloro-5-fluoro-N-pyrrol-1-ylpyrimidin-4-amine

2-chloro-5-fluoro-N-pyrrol-1-ylpyrimidin-4-amine (PubChem CID 22060431) has the molecular formula C8H6ClFN4 and a molecular weight of 212.62 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-pyrrol-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-pyrrol-1-ylpyrimidin-4-amine
PubChem CID22060431
Molecular FormulaC8H6ClFN4
Molecular Weight212.62 g/mol
Exact Mass212.03
IUPAC Name2-chloro-5-fluoro-N-pyrrol-1-ylpyrimidin-4-amine
SMILESFc1cnc(Cl)nc1Nn1cccc1
InChIInChI=1S/C8H6ClFN4/c9-8-11-5-6(10)7(12-8)13-14-3-1-2-4-14/h1-5H,(H,11,12,13)
InChIKeyGBJJGYVVHYTHMF-UHFFFAOYSA-N
XLogP1.95
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.62
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-pyrrol-1-ylpyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-pyrrol-1-ylpyrimidin-4-amine (CID 22060431) is 2-chloro-5-fluoro-N-pyrrol-1-ylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-pyrrol-1-ylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-pyrrol-1-ylpyrimidin-4-amine is Fc1cnc(Cl)nc1Nn1cccc1.
What is the InChIKey of 2-chloro-5-fluoro-N-pyrrol-1-ylpyrimidin-4-amine?
The InChIKey is GBJJGYVVHYTHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFN4/c9-8-11-5-6(10)7(12-8)13-14-3-1-2-4-14/h1-5H,(H,11,12,13).
What are the key properties of 2-chloro-5-fluoro-N-pyrrol-1-ylpyrimidin-4-amine?
2-chloro-5-fluoro-N-pyrrol-1-ylpyrimidin-4-amine has a molecular weight of 212.62 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-pyrrol-1-ylpyrimidin-4-amine is sourced from PubChem (CID 22060431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).