4,6-dichloro-5-fluoro-2-(3-methylimidazol-4-yl)pyrimidine

C8H5Cl2FN4 — CID 80550879

IUPAC4,6-dichloro-5-fluoro-2-(3-methylimidazol-4-yl)pyrimidine
SMILESCn1cncc1-c1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C8H5Cl2FN4/c1-15-3-12-2-4(15)8-13-6(9)5(11)7(10)14-8/h2-3H,1H3
InChIKeyFAACGJVKJJUITN-UHFFFAOYSA-N
MW247.06 g/mol
LogP2.32
Rot. Bonds1

About 4,6-dichloro-5-fluoro-2-(3-methylimidazol-4-yl)pyrimidine

4,6-dichloro-5-fluoro-2-(3-methylimidazol-4-yl)pyrimidine (PubChem CID 80550879) has the molecular formula C8H5Cl2FN4 and a molecular weight of 247.06 g/mol. Its IUPAC name is 4,6-dichloro-5-fluoro-2-(3-methylimidazol-4-yl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-fluoro-2-(3-methylimidazol-4-yl)pyrimidine
PubChem CID80550879
Molecular FormulaC8H5Cl2FN4
Molecular Weight247.06 g/mol
Exact Mass245.99
IUPAC Name4,6-dichloro-5-fluoro-2-(3-methylimidazol-4-yl)pyrimidine
SMILESCn1cncc1-c1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C8H5Cl2FN4/c1-15-3-12-2-4(15)8-13-6(9)5(11)7(10)14-8/h2-3H,1H3
InChIKeyFAACGJVKJJUITN-UHFFFAOYSA-N
XLogP2.32
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.06
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-fluoro-2-(3-methylimidazol-4-yl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-fluoro-2-(3-methylimidazol-4-yl)pyrimidine (CID 80550879) is 4,6-dichloro-5-fluoro-2-(3-methylimidazol-4-yl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-fluoro-2-(3-methylimidazol-4-yl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-fluoro-2-(3-methylimidazol-4-yl)pyrimidine is Cn1cncc1-c1nc(Cl)c(F)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-5-fluoro-2-(3-methylimidazol-4-yl)pyrimidine?
The InChIKey is FAACGJVKJJUITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2FN4/c1-15-3-12-2-4(15)8-13-6(9)5(11)7(10)14-8/h2-3H,1H3.
What are the key properties of 4,6-dichloro-5-fluoro-2-(3-methylimidazol-4-yl)pyrimidine?
4,6-dichloro-5-fluoro-2-(3-methylimidazol-4-yl)pyrimidine has a molecular weight of 247.06 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-fluoro-2-(3-methylimidazol-4-yl)pyrimidine is sourced from PubChem (CID 80550879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).