(2S)-2-(1,1-difluoroethyl)-7-hydroxy-2-methyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one

C9H11F2N3O2 — CID 136941862

IUPAC(2S)-2-(1,1-difluoroethyl)-7-hydroxy-2-methyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one
SMILESCC(F)(F)[C@]1(C)Cn2c(nc(O)cc2=O)N1
InChIInChI=1S/C9H11F2N3O2/c1-8(9(2,10)11)4-14-6(16)3-5(15)12-7(14)13-8/h3,15H,4H2,1-2H3,(H,12,13)/t8-/m0/s1
InChIKeyNDKUYMVICNQKFX-QMMMGPOBSA-N
MW231.20 g/mol
LogP0.79
Rot. Bonds1

About (2S)-2-(1,1-difluoroethyl)-7-hydroxy-2-methyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one

(2S)-2-(1,1-difluoroethyl)-7-hydroxy-2-methyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one (PubChem CID 136941862) has the molecular formula C9H11F2N3O2 and a molecular weight of 231.20 g/mol. Its IUPAC name is (2S)-2-(1,1-difluoroethyl)-7-hydroxy-2-methyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name(2S)-2-(1,1-difluoroethyl)-7-hydroxy-2-methyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one
PubChem CID136941862
Molecular FormulaC9H11F2N3O2
Molecular Weight231.20 g/mol
Exact Mass231.08
IUPAC Name(2S)-2-(1,1-difluoroethyl)-7-hydroxy-2-methyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one
SMILESCC(F)(F)[C@]1(C)Cn2c(nc(O)cc2=O)N1
InChIInChI=1S/C9H11F2N3O2/c1-8(9(2,10)11)4-14-6(16)3-5(15)12-7(14)13-8/h3,15H,4H2,1-2H3,(H,12,13)/t8-/m0/s1
InChIKeyNDKUYMVICNQKFX-QMMMGPOBSA-N
XLogP0.79
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,1-difluoroethyl)-7-hydroxy-2-methyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of (2S)-2-(1,1-difluoroethyl)-7-hydroxy-2-methyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one (CID 136941862) is (2S)-2-(1,1-difluoroethyl)-7-hydroxy-2-methyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for (2S)-2-(1,1-difluoroethyl)-7-hydroxy-2-methyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for (2S)-2-(1,1-difluoroethyl)-7-hydroxy-2-methyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one is CC(F)(F)[C@]1(C)Cn2c(nc(O)cc2=O)N1.
What is the InChIKey of (2S)-2-(1,1-difluoroethyl)-7-hydroxy-2-methyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one?
The InChIKey is NDKUYMVICNQKFX-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H11F2N3O2/c1-8(9(2,10)11)4-14-6(16)3-5(15)12-7(14)13-8/h3,15H,4H2,1-2H3,(H,12,13)/t8-/m0/s1.
What are the key properties of (2S)-2-(1,1-difluoroethyl)-7-hydroxy-2-methyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one?
(2S)-2-(1,1-difluoroethyl)-7-hydroxy-2-methyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one has a molecular weight of 231.20 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,1-difluoroethyl)-7-hydroxy-2-methyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 136941862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).