5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidine

C11H13FN4 — CID 141123771

IUPAC5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidine
SMILESCc1ncc(-c2ncncc2F)n1C(C)C
InChIInChI=1S/C11H13FN4/c1-7(2)16-8(3)14-5-10(16)11-9(12)4-13-6-15-11/h4-7H,1-3H3
InChIKeyAOXNJIYHRNEHKX-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.37
Rot. Bonds2

About 5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidine

5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidine (PubChem CID 141123771) has the molecular formula C11H13FN4 and a molecular weight of 220.25 g/mol. Its IUPAC name is 5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidine.

Molecular Properties

Compound Name5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidine
PubChem CID141123771
Molecular FormulaC11H13FN4
Molecular Weight220.25 g/mol
Exact Mass220.11
IUPAC Name5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidine
SMILESCc1ncc(-c2ncncc2F)n1C(C)C
InChIInChI=1S/C11H13FN4/c1-7(2)16-8(3)14-5-10(16)11-9(12)4-13-6-15-11/h4-7H,1-3H3
InChIKeyAOXNJIYHRNEHKX-UHFFFAOYSA-N
XLogP2.37
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidine?
The IUPAC name of 5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidine (CID 141123771) is 5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidine.
What is the SMILES notation for 5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidine?
The canonical SMILES for 5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidine is Cc1ncc(-c2ncncc2F)n1C(C)C.
What is the InChIKey of 5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidine?
The InChIKey is AOXNJIYHRNEHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4/c1-7(2)16-8(3)14-5-10(16)11-9(12)4-13-6-15-11/h4-7H,1-3H3.
What are the key properties of 5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidine?
5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidine has a molecular weight of 220.25 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidine is sourced from PubChem (CID 141123771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).