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

C10H9Cl2FN4 — CID 80551025

IUPAC4,6-dichloro-5-fluoro-2-(3-propan-2-ylimidazol-4-yl)pyrimidine
SMILESCC(C)n1cncc1-c1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C10H9Cl2FN4/c1-5(2)17-4-14-3-6(17)10-15-8(11)7(13)9(12)16-10/h3-5H,1-2H3
InChIKeyMFHUPAFBLGDTKA-UHFFFAOYSA-N
MW275.11 g/mol
LogP3.37
Rot. Bonds2

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

4,6-dichloro-5-fluoro-2-(3-propan-2-ylimidazol-4-yl)pyrimidine (PubChem CID 80551025) has the molecular formula C10H9Cl2FN4 and a molecular weight of 275.11 g/mol. Its IUPAC name is 4,6-dichloro-5-fluoro-2-(3-propan-2-ylimidazol-4-yl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-fluoro-2-(3-propan-2-ylimidazol-4-yl)pyrimidine
PubChem CID80551025
Molecular FormulaC10H9Cl2FN4
Molecular Weight275.11 g/mol
Exact Mass274.02
IUPAC Name4,6-dichloro-5-fluoro-2-(3-propan-2-ylimidazol-4-yl)pyrimidine
SMILESCC(C)n1cncc1-c1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C10H9Cl2FN4/c1-5(2)17-4-14-3-6(17)10-15-8(11)7(13)9(12)16-10/h3-5H,1-2H3
InChIKeyMFHUPAFBLGDTKA-UHFFFAOYSA-N
XLogP3.37
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.11
LogP ≤ 53.37
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-propan-2-ylimidazol-4-yl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-fluoro-2-(3-propan-2-ylimidazol-4-yl)pyrimidine (CID 80551025) is 4,6-dichloro-5-fluoro-2-(3-propan-2-ylimidazol-4-yl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-fluoro-2-(3-propan-2-ylimidazol-4-yl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-fluoro-2-(3-propan-2-ylimidazol-4-yl)pyrimidine is CC(C)n1cncc1-c1nc(Cl)c(F)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-5-fluoro-2-(3-propan-2-ylimidazol-4-yl)pyrimidine?
The InChIKey is MFHUPAFBLGDTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2FN4/c1-5(2)17-4-14-3-6(17)10-15-8(11)7(13)9(12)16-10/h3-5H,1-2H3.
What are the key properties of 4,6-dichloro-5-fluoro-2-(3-propan-2-ylimidazol-4-yl)pyrimidine?
4,6-dichloro-5-fluoro-2-(3-propan-2-ylimidazol-4-yl)pyrimidine has a molecular weight of 275.11 g/mol, XLogP of 3.37, 2 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-propan-2-ylimidazol-4-yl)pyrimidine is sourced from PubChem (CID 80551025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).