2-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrimidine

C13H10FN3O — CID 751904

IUPAC2-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrimidine
SMILESCOc1ccc(-c2cn3cccnc3n2)cc1F
InChIInChI=1S/C13H10FN3O/c1-18-12-4-3-9(7-10(12)14)11-8-17-6-2-5-15-13(17)16-11/h2-8H,1H3
InChIKeyCCIBRPFZGGFUFR-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.54
Rot. Bonds2

About 2-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrimidine

2-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrimidine (PubChem CID 751904) has the molecular formula C13H10FN3O and a molecular weight of 243.24 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrimidine
PubChem CID751904
Molecular FormulaC13H10FN3O
Molecular Weight243.24 g/mol
Exact Mass243.08
IUPAC Name2-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrimidine
SMILESCOc1ccc(-c2cn3cccnc3n2)cc1F
InChIInChI=1S/C13H10FN3O/c1-18-12-4-3-9(7-10(12)14)11-8-17-6-2-5-15-13(17)16-11/h2-8H,1H3
InChIKeyCCIBRPFZGGFUFR-UHFFFAOYSA-N
XLogP2.54
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrimidine (CID 751904) is 2-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrimidine is COc1ccc(-c2cn3cccnc3n2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrimidine?
The InChIKey is CCIBRPFZGGFUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O/c1-18-12-4-3-9(7-10(12)14)11-8-17-6-2-5-15-13(17)16-11/h2-8H,1H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrimidine?
2-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrimidine has a molecular weight of 243.24 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 751904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).