4-chloro-5-fluoro-6-methyl-2-(3-methylimidazol-4-yl)pyrimidine

C9H8ClFN4 — CID 66119117

IUPAC4-chloro-5-fluoro-6-methyl-2-(3-methylimidazol-4-yl)pyrimidine
SMILESCc1nc(-c2cncn2C)nc(Cl)c1F
InChIInChI=1S/C9H8ClFN4/c1-5-7(11)8(10)14-9(13-5)6-3-12-4-15(6)2/h3-4H,1-2H3
InChIKeyOQFVOOADPTUJSO-UHFFFAOYSA-N
MW226.64 g/mol
LogP1.98
Rot. Bonds1

About 4-chloro-5-fluoro-6-methyl-2-(3-methylimidazol-4-yl)pyrimidine

4-chloro-5-fluoro-6-methyl-2-(3-methylimidazol-4-yl)pyrimidine (PubChem CID 66119117) has the molecular formula C9H8ClFN4 and a molecular weight of 226.64 g/mol. Its IUPAC name is 4-chloro-5-fluoro-6-methyl-2-(3-methylimidazol-4-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-fluoro-6-methyl-2-(3-methylimidazol-4-yl)pyrimidine
PubChem CID66119117
Molecular FormulaC9H8ClFN4
Molecular Weight226.64 g/mol
Exact Mass226.04
IUPAC Name4-chloro-5-fluoro-6-methyl-2-(3-methylimidazol-4-yl)pyrimidine
SMILESCc1nc(-c2cncn2C)nc(Cl)c1F
InChIInChI=1S/C9H8ClFN4/c1-5-7(11)8(10)14-9(13-5)6-3-12-4-15(6)2/h3-4H,1-2H3
InChIKeyOQFVOOADPTUJSO-UHFFFAOYSA-N
XLogP1.98
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.64
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-6-methyl-2-(3-methylimidazol-4-yl)pyrimidine?
The IUPAC name of 4-chloro-5-fluoro-6-methyl-2-(3-methylimidazol-4-yl)pyrimidine (CID 66119117) is 4-chloro-5-fluoro-6-methyl-2-(3-methylimidazol-4-yl)pyrimidine.
What is the SMILES notation for 4-chloro-5-fluoro-6-methyl-2-(3-methylimidazol-4-yl)pyrimidine?
The canonical SMILES for 4-chloro-5-fluoro-6-methyl-2-(3-methylimidazol-4-yl)pyrimidine is Cc1nc(-c2cncn2C)nc(Cl)c1F.
What is the InChIKey of 4-chloro-5-fluoro-6-methyl-2-(3-methylimidazol-4-yl)pyrimidine?
The InChIKey is OQFVOOADPTUJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFN4/c1-5-7(11)8(10)14-9(13-5)6-3-12-4-15(6)2/h3-4H,1-2H3.
What are the key properties of 4-chloro-5-fluoro-6-methyl-2-(3-methylimidazol-4-yl)pyrimidine?
4-chloro-5-fluoro-6-methyl-2-(3-methylimidazol-4-yl)pyrimidine has a molecular weight of 226.64 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-6-methyl-2-(3-methylimidazol-4-yl)pyrimidine is sourced from PubChem (CID 66119117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).