2-(3,4-difluorophenyl)imidazo[1,2-a]pyrimidin-7-amine

C12H8F2N4 — CID 130247056

IUPAC2-(3,4-difluorophenyl)imidazo[1,2-a]pyrimidin-7-amine
SMILESNc1ccn2cc(-c3ccc(F)c(F)c3)nc2n1
InChIInChI=1S/C12H8F2N4/c13-8-2-1-7(5-9(8)14)10-6-18-4-3-11(15)17-12(18)16-10/h1-6H,(H2,15,16,17)
InChIKeyOMOPQWVFGZLVOX-UHFFFAOYSA-N
MW246.22 g/mol
LogP2.26
Rot. Bonds1

About 2-(3,4-difluorophenyl)imidazo[1,2-a]pyrimidin-7-amine

2-(3,4-difluorophenyl)imidazo[1,2-a]pyrimidin-7-amine (PubChem CID 130247056) has the molecular formula C12H8F2N4 and a molecular weight of 246.22 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)imidazo[1,2-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)imidazo[1,2-a]pyrimidin-7-amine
PubChem CID130247056
Molecular FormulaC12H8F2N4
Molecular Weight246.22 g/mol
Exact Mass246.07
IUPAC Name2-(3,4-difluorophenyl)imidazo[1,2-a]pyrimidin-7-amine
SMILESNc1ccn2cc(-c3ccc(F)c(F)c3)nc2n1
InChIInChI=1S/C12H8F2N4/c13-8-2-1-7(5-9(8)14)10-6-18-4-3-11(15)17-12(18)16-10/h1-6H,(H2,15,16,17)
InChIKeyOMOPQWVFGZLVOX-UHFFFAOYSA-N
XLogP2.26
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)imidazo[1,2-a]pyrimidin-7-amine?
The IUPAC name of 2-(3,4-difluorophenyl)imidazo[1,2-a]pyrimidin-7-amine (CID 130247056) is 2-(3,4-difluorophenyl)imidazo[1,2-a]pyrimidin-7-amine.
What is the SMILES notation for 2-(3,4-difluorophenyl)imidazo[1,2-a]pyrimidin-7-amine?
The canonical SMILES for 2-(3,4-difluorophenyl)imidazo[1,2-a]pyrimidin-7-amine is Nc1ccn2cc(-c3ccc(F)c(F)c3)nc2n1.
What is the InChIKey of 2-(3,4-difluorophenyl)imidazo[1,2-a]pyrimidin-7-amine?
The InChIKey is OMOPQWVFGZLVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N4/c13-8-2-1-7(5-9(8)14)10-6-18-4-3-11(15)17-12(18)16-10/h1-6H,(H2,15,16,17).
What are the key properties of 2-(3,4-difluorophenyl)imidazo[1,2-a]pyrimidin-7-amine?
2-(3,4-difluorophenyl)imidazo[1,2-a]pyrimidin-7-amine has a molecular weight of 246.22 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)imidazo[1,2-a]pyrimidin-7-amine is sourced from PubChem (CID 130247056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).