4-(4,5-dimethylimidazol-1-yl)-6-fluoropyrimidine

C9H9FN4 — CID 115417263

IUPAC4-(4,5-dimethylimidazol-1-yl)-6-fluoropyrimidine
SMILESCc1ncn(-c2cc(F)ncn2)c1C
InChIInChI=1S/C9H9FN4/c1-6-7(2)14(5-13-6)9-3-8(10)11-4-12-9/h3-5H,1-2H3
InChIKeyRYZVYEULOGIGHY-UHFFFAOYSA-N
MW192.20 g/mol
LogP1.42
Rot. Bonds1

About 4-(4,5-dimethylimidazol-1-yl)-6-fluoropyrimidine

4-(4,5-dimethylimidazol-1-yl)-6-fluoropyrimidine (PubChem CID 115417263) has the molecular formula C9H9FN4 and a molecular weight of 192.20 g/mol. Its IUPAC name is 4-(4,5-dimethylimidazol-1-yl)-6-fluoropyrimidine.

Molecular Properties

Compound Name4-(4,5-dimethylimidazol-1-yl)-6-fluoropyrimidine
PubChem CID115417263
Molecular FormulaC9H9FN4
Molecular Weight192.20 g/mol
Exact Mass192.08
IUPAC Name4-(4,5-dimethylimidazol-1-yl)-6-fluoropyrimidine
SMILESCc1ncn(-c2cc(F)ncn2)c1C
InChIInChI=1S/C9H9FN4/c1-6-7(2)14(5-13-6)9-3-8(10)11-4-12-9/h3-5H,1-2H3
InChIKeyRYZVYEULOGIGHY-UHFFFAOYSA-N
XLogP1.42
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,5-dimethylimidazol-1-yl)pyridin-4-amine
CID 62352299
4-fluoro-6-(4-methylpyrazol-1-yl)pyrimidine
CID 115417252
N-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-(2-fluorophenyl)acetamide
CID 122328733
N-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1-(2-fluorophenyl)methanesulfonamide
CID 122328858
1-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-methoxyethanone
CID 122345316
[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 122345337
5-chloro-4-(chloromethyl)-2-(4,5-dimethylimidazol-1-yl)pyridine
CID 114921158
1-(2,5-difluorophenyl)-N-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 122328843
N-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2,5-dimethylbenzamide
CID 122328563
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)methanesulfonamide
CID 122314022
1-(2,5-difluorophenyl)-3-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]urea
CID 122328643
2-chloro-N-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-4-fluorobenzamide
CID 56919908

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethylimidazol-1-yl)-6-fluoropyrimidine?
The IUPAC name of 4-(4,5-dimethylimidazol-1-yl)-6-fluoropyrimidine (CID 115417263) is 4-(4,5-dimethylimidazol-1-yl)-6-fluoropyrimidine.
What is the SMILES notation for 4-(4,5-dimethylimidazol-1-yl)-6-fluoropyrimidine?
The canonical SMILES for 4-(4,5-dimethylimidazol-1-yl)-6-fluoropyrimidine is Cc1ncn(-c2cc(F)ncn2)c1C.
What is the InChIKey of 4-(4,5-dimethylimidazol-1-yl)-6-fluoropyrimidine?
The InChIKey is RYZVYEULOGIGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4/c1-6-7(2)14(5-13-6)9-3-8(10)11-4-12-9/h3-5H,1-2H3.
What are the key properties of 4-(4,5-dimethylimidazol-1-yl)-6-fluoropyrimidine?
4-(4,5-dimethylimidazol-1-yl)-6-fluoropyrimidine has a molecular weight of 192.20 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethylimidazol-1-yl)-6-fluoropyrimidine is sourced from PubChem (CID 115417263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).