7-[(2R)-2-methylmorpholin-4-yl]-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrimidin-5-one

C20H21F3N4O2 — CID 57403581

IUPAC7-[(2R)-2-methylmorpholin-4-yl]-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrimidin-5-one
SMILESCc1c(Cn2ccn3c(=O)cc(N4CCO[C@H](C)C4)nc23)cccc1C(F)(F)F
InChIInChI=1S/C20H21F3N4O2/c1-13-11-25(8-9-29-13)17-10-18(28)27-7-6-26(19(27)24-17)12-15-4-3-5-16(14(15)2)20(21,22)23/h3-7,10,13H,8-9,11-12H2,1-2H3/t13-/m1/s1
InChIKeyVYOJFSXRCPAYQT-CYBMUJFWSA-N
MW406.41 g/mol
LogP3.10
Rot. Bonds3

About 7-[(2R)-2-methylmorpholin-4-yl]-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrimidin-5-one

7-[(2R)-2-methylmorpholin-4-yl]-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrimidin-5-one (PubChem CID 57403581) has the molecular formula C20H21F3N4O2 and a molecular weight of 406.41 g/mol. Its IUPAC name is 7-[(2R)-2-methylmorpholin-4-yl]-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(2R)-2-methylmorpholin-4-yl]-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrimidin-5-one
PubChem CID57403581
Molecular FormulaC20H21F3N4O2
Molecular Weight406.41 g/mol
Exact Mass406.16
IUPAC Name7-[(2R)-2-methylmorpholin-4-yl]-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrimidin-5-one
SMILESCc1c(Cn2ccn3c(=O)cc(N4CCO[C@H](C)C4)nc23)cccc1C(F)(F)F
InChIInChI=1S/C20H21F3N4O2/c1-13-11-25(8-9-29-13)17-10-18(28)27-7-6-26(19(27)24-17)12-15-4-3-5-16(14(15)2)20(21,22)23/h3-7,10,13H,8-9,11-12H2,1-2H3/t13-/m1/s1
InChIKeyVYOJFSXRCPAYQT-CYBMUJFWSA-N
XLogP3.10
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(2R)-2-methylmorpholin-4-yl]-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(2R)-2-methylmorpholin-4-yl]-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrimidin-5-one (CID 57403581) is 7-[(2R)-2-methylmorpholin-4-yl]-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(2R)-2-methylmorpholin-4-yl]-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(2R)-2-methylmorpholin-4-yl]-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrimidin-5-one is Cc1c(Cn2ccn3c(=O)cc(N4CCO[C@H](C)C4)nc23)cccc1C(F)(F)F.
What is the InChIKey of 7-[(2R)-2-methylmorpholin-4-yl]-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrimidin-5-one?
The InChIKey is VYOJFSXRCPAYQT-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H21F3N4O2/c1-13-11-25(8-9-29-13)17-10-18(28)27-7-6-26(19(27)24-17)12-15-4-3-5-16(14(15)2)20(21,22)23/h3-7,10,13H,8-9,11-12H2,1-2H3/t13-/m1/s1.
What are the key properties of 7-[(2R)-2-methylmorpholin-4-yl]-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrimidin-5-one?
7-[(2R)-2-methylmorpholin-4-yl]-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrimidin-5-one has a molecular weight of 406.41 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R)-2-methylmorpholin-4-yl]-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 57403581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).