imidazo[1,2-a]pyrimidin-2-yl-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone

C12H11F3N4O — CID 136567002

IUPACimidazo[1,2-a]pyrimidin-2-yl-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cn2cccnc2n1)N1CCC(C(F)(F)F)C1
InChIInChI=1S/C12H11F3N4O/c13-12(14,15)8-2-5-18(6-8)10(20)9-7-19-4-1-3-16-11(19)17-9/h1,3-4,7-8H,2,5-6H2
InChIKeyMBIVMNOCGRQYPW-UHFFFAOYSA-N
MW284.24 g/mol
LogP1.75
Rot. Bonds1

About imidazo[1,2-a]pyrimidin-2-yl-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone

imidazo[1,2-a]pyrimidin-2-yl-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone (PubChem CID 136567002) has the molecular formula C12H11F3N4O and a molecular weight of 284.24 g/mol. Its IUPAC name is imidazo[1,2-a]pyrimidin-2-yl-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Nameimidazo[1,2-a]pyrimidin-2-yl-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
PubChem CID136567002
Molecular FormulaC12H11F3N4O
Molecular Weight284.24 g/mol
Exact Mass284.09
IUPAC Nameimidazo[1,2-a]pyrimidin-2-yl-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cn2cccnc2n1)N1CCC(C(F)(F)F)C1
InChIInChI=1S/C12H11F3N4O/c13-12(14,15)8-2-5-18(6-8)10(20)9-7-19-4-1-3-16-11(19)17-9/h1,3-4,7-8H,2,5-6H2
InChIKeyMBIVMNOCGRQYPW-UHFFFAOYSA-N
XLogP1.75
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyrimidin-2-yl-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of imidazo[1,2-a]pyrimidin-2-yl-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone (CID 136567002) is imidazo[1,2-a]pyrimidin-2-yl-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for imidazo[1,2-a]pyrimidin-2-yl-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for imidazo[1,2-a]pyrimidin-2-yl-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone is O=C(c1cn2cccnc2n1)N1CCC(C(F)(F)F)C1.
What is the InChIKey of imidazo[1,2-a]pyrimidin-2-yl-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The InChIKey is MBIVMNOCGRQYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O/c13-12(14,15)8-2-5-18(6-8)10(20)9-7-19-4-1-3-16-11(19)17-9/h1,3-4,7-8H,2,5-6H2.
What are the key properties of imidazo[1,2-a]pyrimidin-2-yl-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
imidazo[1,2-a]pyrimidin-2-yl-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone has a molecular weight of 284.24 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyrimidin-2-yl-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 136567002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).