ethyl 6-(2,2-difluorocyclopropyl)imidazo[1,2-a]pyrimidine-2-carboxylate

C12H11F2N3O2 — CID 156502604

IUPACethyl 6-(2,2-difluorocyclopropyl)imidazo[1,2-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(C3CC3(F)F)cnc2n1
InChIInChI=1S/C12H11F2N3O2/c1-2-19-10(18)9-6-17-5-7(4-15-11(17)16-9)8-3-12(8,13)14/h4-6,8H,2-3H2,1H3
InChIKeyRGGUVQYIGHECJF-UHFFFAOYSA-N
MW267.24 g/mol
LogP2.03
Rot. Bonds3

About ethyl 6-(2,2-difluorocyclopropyl)imidazo[1,2-a]pyrimidine-2-carboxylate

ethyl 6-(2,2-difluorocyclopropyl)imidazo[1,2-a]pyrimidine-2-carboxylate (PubChem CID 156502604) has the molecular formula C12H11F2N3O2 and a molecular weight of 267.24 g/mol. Its IUPAC name is ethyl 6-(2,2-difluorocyclopropyl)imidazo[1,2-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(2,2-difluorocyclopropyl)imidazo[1,2-a]pyrimidine-2-carboxylate
PubChem CID156502604
Molecular FormulaC12H11F2N3O2
Molecular Weight267.24 g/mol
Exact Mass267.08
IUPAC Nameethyl 6-(2,2-difluorocyclopropyl)imidazo[1,2-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(C3CC3(F)F)cnc2n1
InChIInChI=1S/C12H11F2N3O2/c1-2-19-10(18)9-6-17-5-7(4-15-11(17)16-9)8-3-12(8,13)14/h4-6,8H,2-3H2,1H3
InChIKeyRGGUVQYIGHECJF-UHFFFAOYSA-N
XLogP2.03
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2,2-difluorocyclopropyl)imidazo[1,2-a]pyrimidine-2-carboxylate?
The IUPAC name of ethyl 6-(2,2-difluorocyclopropyl)imidazo[1,2-a]pyrimidine-2-carboxylate (CID 156502604) is ethyl 6-(2,2-difluorocyclopropyl)imidazo[1,2-a]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 6-(2,2-difluorocyclopropyl)imidazo[1,2-a]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 6-(2,2-difluorocyclopropyl)imidazo[1,2-a]pyrimidine-2-carboxylate is CCOC(=O)c1cn2cc(C3CC3(F)F)cnc2n1.
What is the InChIKey of ethyl 6-(2,2-difluorocyclopropyl)imidazo[1,2-a]pyrimidine-2-carboxylate?
The InChIKey is RGGUVQYIGHECJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O2/c1-2-19-10(18)9-6-17-5-7(4-15-11(17)16-9)8-3-12(8,13)14/h4-6,8H,2-3H2,1H3.
What are the key properties of ethyl 6-(2,2-difluorocyclopropyl)imidazo[1,2-a]pyrimidine-2-carboxylate?
ethyl 6-(2,2-difluorocyclopropyl)imidazo[1,2-a]pyrimidine-2-carboxylate has a molecular weight of 267.24 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2,2-difluorocyclopropyl)imidazo[1,2-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 156502604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).