7-tert-butyl-1-(difluoromethyl)imidazo[1,2-a]pyrimidin-5-one

C11H13F2N3O — CID 176739475

IUPAC7-tert-butyl-1-(difluoromethyl)imidazo[1,2-a]pyrimidin-5-one
SMILESCC(C)(C)c1cc(=O)n2ccn(C(F)F)c2n1
InChIInChI=1S/C11H13F2N3O/c1-11(2,3)7-6-8(17)15-4-5-16(9(12)13)10(15)14-7/h4-6,9H,1-3H3
InChIKeyKUFOIWYFXRERTP-UHFFFAOYSA-N
MW241.24 g/mol
LogP2.19
Rot. Bonds1

About 7-tert-butyl-1-(difluoromethyl)imidazo[1,2-a]pyrimidin-5-one

7-tert-butyl-1-(difluoromethyl)imidazo[1,2-a]pyrimidin-5-one (PubChem CID 176739475) has the molecular formula C11H13F2N3O and a molecular weight of 241.24 g/mol. Its IUPAC name is 7-tert-butyl-1-(difluoromethyl)imidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-tert-butyl-1-(difluoromethyl)imidazo[1,2-a]pyrimidin-5-one
PubChem CID176739475
Molecular FormulaC11H13F2N3O
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name7-tert-butyl-1-(difluoromethyl)imidazo[1,2-a]pyrimidin-5-one
SMILESCC(C)(C)c1cc(=O)n2ccn(C(F)F)c2n1
InChIInChI=1S/C11H13F2N3O/c1-11(2,3)7-6-8(17)15-4-5-16(9(12)13)10(15)14-7/h4-6,9H,1-3H3
InChIKeyKUFOIWYFXRERTP-UHFFFAOYSA-N
XLogP2.19
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-9-isocyanopyrido[1,2-a]pyrimidin-4-one
CID 140746699
2-tert-butyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 13382495
5-tert-butyl-1-propan-2-ylpyrazin-2-one
CID 59802801
4-bromo-2-tert-butyl-6-(difluoromethyl)pyridine
CID 172992499
5-tert-butyl-2-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 17079252
6-tert-butyl-3-[[3-(difluoromethyl)phenyl]methyl]pyrimidin-4-one
CID 126813591
5-tert-butyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 113433914
2-tert-butyl-7-(trifluoromethylsulfinyl)imidazo[1,2-c]pyrimidine
CID 176739190
1-(difluoromethyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one
CID 162651648
2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 69324468
1-methyl-5-oxoimidazo[1,2-a]pyrimidine-7-carboxylic acid
CID 176739480
2-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 10837029

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-1-(difluoromethyl)imidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 7-tert-butyl-1-(difluoromethyl)imidazo[1,2-a]pyrimidin-5-one (CID 176739475) is 7-tert-butyl-1-(difluoromethyl)imidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-tert-butyl-1-(difluoromethyl)imidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 7-tert-butyl-1-(difluoromethyl)imidazo[1,2-a]pyrimidin-5-one is CC(C)(C)c1cc(=O)n2ccn(C(F)F)c2n1.
What is the InChIKey of 7-tert-butyl-1-(difluoromethyl)imidazo[1,2-a]pyrimidin-5-one?
The InChIKey is KUFOIWYFXRERTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O/c1-11(2,3)7-6-8(17)15-4-5-16(9(12)13)10(15)14-7/h4-6,9H,1-3H3.
What are the key properties of 7-tert-butyl-1-(difluoromethyl)imidazo[1,2-a]pyrimidin-5-one?
7-tert-butyl-1-(difluoromethyl)imidazo[1,2-a]pyrimidin-5-one has a molecular weight of 241.24 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-1-(difluoromethyl)imidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 176739475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).