7-(3,6-dihydro-2H-pyran-4-yl)-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrimidin-5-one

C20H18F3N3O2 — CID 57396628

IUPAC7-(3,6-dihydro-2H-pyran-4-yl)-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrimidin-5-one
SMILESCc1c(Cn2ccn3c(=O)cc(C4=CCOCC4)nc23)cccc1C(F)(F)F
InChIInChI=1S/C20H18F3N3O2/c1-13-15(3-2-4-16(13)20(21,22)23)12-25-7-8-26-18(27)11-17(24-19(25)26)14-5-9-28-10-6-14/h2-5,7-8,11H,6,9-10,12H2,1H3
InChIKeyJLRLJOUKICPOHH-UHFFFAOYSA-N
MW389.38 g/mol
LogP3.68
Rot. Bonds3

About 7-(3,6-dihydro-2H-pyran-4-yl)-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrimidin-5-one

7-(3,6-dihydro-2H-pyran-4-yl)-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrimidin-5-one (PubChem CID 57396628) has the molecular formula C20H18F3N3O2 and a molecular weight of 389.38 g/mol. Its IUPAC name is 7-(3,6-dihydro-2H-pyran-4-yl)-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(3,6-dihydro-2H-pyran-4-yl)-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrimidin-5-one
PubChem CID57396628
Molecular FormulaC20H18F3N3O2
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC Name7-(3,6-dihydro-2H-pyran-4-yl)-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrimidin-5-one
SMILESCc1c(Cn2ccn3c(=O)cc(C4=CCOCC4)nc23)cccc1C(F)(F)F
InChIInChI=1S/C20H18F3N3O2/c1-13-15(3-2-4-16(13)20(21,22)23)12-25-7-8-26-18(27)11-17(24-19(25)26)14-5-9-28-10-6-14/h2-5,7-8,11H,6,9-10,12H2,1H3
InChIKeyJLRLJOUKICPOHH-UHFFFAOYSA-N
XLogP3.68
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(3,6-dihydro-2H-pyran-4-yl)-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 7-(3,6-dihydro-2H-pyran-4-yl)-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrimidin-5-one (CID 57396628) is 7-(3,6-dihydro-2H-pyran-4-yl)-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-(3,6-dihydro-2H-pyran-4-yl)-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 7-(3,6-dihydro-2H-pyran-4-yl)-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrimidin-5-one is Cc1c(Cn2ccn3c(=O)cc(C4=CCOCC4)nc23)cccc1C(F)(F)F.
What is the InChIKey of 7-(3,6-dihydro-2H-pyran-4-yl)-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrimidin-5-one?
The InChIKey is JLRLJOUKICPOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O2/c1-13-15(3-2-4-16(13)20(21,22)23)12-25-7-8-26-18(27)11-17(24-19(25)26)14-5-9-28-10-6-14/h2-5,7-8,11H,6,9-10,12H2,1H3.
What are the key properties of 7-(3,6-dihydro-2H-pyran-4-yl)-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrimidin-5-one?
7-(3,6-dihydro-2H-pyran-4-yl)-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrimidin-5-one has a molecular weight of 389.38 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,6-dihydro-2H-pyran-4-yl)-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 57396628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).