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

C10H8ClFN2O — CID 66000434

IUPAC4-chloro-5-fluoro-6-methyl-2-(5-methylfuran-2-yl)pyrimidine
SMILESCc1ccc(-c2nc(C)c(F)c(Cl)n2)o1
InChIInChI=1S/C10H8ClFN2O/c1-5-3-4-7(15-5)10-13-6(2)8(12)9(11)14-10/h3-4H,1-2H3
InChIKeyYSVYUBGOFPVWEF-UHFFFAOYSA-N
MW226.64 g/mol
LogP3.15
Rot. Bonds1

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

4-chloro-5-fluoro-6-methyl-2-(5-methylfuran-2-yl)pyrimidine (PubChem CID 66000434) has the molecular formula C10H8ClFN2O and a molecular weight of 226.64 g/mol. Its IUPAC name is 4-chloro-5-fluoro-6-methyl-2-(5-methylfuran-2-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-fluoro-6-methyl-2-(5-methylfuran-2-yl)pyrimidine
PubChem CID66000434
Molecular FormulaC10H8ClFN2O
Molecular Weight226.64 g/mol
Exact Mass226.03
IUPAC Name4-chloro-5-fluoro-6-methyl-2-(5-methylfuran-2-yl)pyrimidine
SMILESCc1ccc(-c2nc(C)c(F)c(Cl)n2)o1
InChIInChI=1S/C10H8ClFN2O/c1-5-3-4-7(15-5)10-13-6(2)8(12)9(11)14-10/h3-4H,1-2H3
InChIKeyYSVYUBGOFPVWEF-UHFFFAOYSA-N
XLogP3.15
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.64
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-6-methyl-2-(5-methylfuran-2-yl)pyrimidine?
The IUPAC name of 4-chloro-5-fluoro-6-methyl-2-(5-methylfuran-2-yl)pyrimidine (CID 66000434) is 4-chloro-5-fluoro-6-methyl-2-(5-methylfuran-2-yl)pyrimidine.
What is the SMILES notation for 4-chloro-5-fluoro-6-methyl-2-(5-methylfuran-2-yl)pyrimidine?
The canonical SMILES for 4-chloro-5-fluoro-6-methyl-2-(5-methylfuran-2-yl)pyrimidine is Cc1ccc(-c2nc(C)c(F)c(Cl)n2)o1.
What is the InChIKey of 4-chloro-5-fluoro-6-methyl-2-(5-methylfuran-2-yl)pyrimidine?
The InChIKey is YSVYUBGOFPVWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O/c1-5-3-4-7(15-5)10-13-6(2)8(12)9(11)14-10/h3-4H,1-2H3.
What are the key properties of 4-chloro-5-fluoro-6-methyl-2-(5-methylfuran-2-yl)pyrimidine?
4-chloro-5-fluoro-6-methyl-2-(5-methylfuran-2-yl)pyrimidine has a molecular weight of 226.64 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-6-methyl-2-(5-methylfuran-2-yl)pyrimidine is sourced from PubChem (CID 66000434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).