9-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one

C14H14F3N3O2 — CID 166291593

IUPAC9-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(N3CCOC(C(F)(F)F)C3)nc12
InChIInChI=1S/C14H14F3N3O2/c1-9-3-2-4-20-12(21)7-11(18-13(9)20)19-5-6-22-10(8-19)14(15,16)17/h2-4,7,10H,5-6,8H2,1H3
InChIKeyOJADOISDFRHBKY-UHFFFAOYSA-N
MW313.28 g/mol
LogP1.77
Rot. Bonds1

About 9-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one

9-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 166291593) has the molecular formula C14H14F3N3O2 and a molecular weight of 313.28 g/mol. Its IUPAC name is 9-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID166291593
Molecular FormulaC14H14F3N3O2
Molecular Weight313.28 g/mol
Exact Mass313.10
IUPAC Name9-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(N3CCOC(C(F)(F)F)C3)nc12
InChIInChI=1S/C14H14F3N3O2/c1-9-3-2-4-20-12(21)7-11(18-13(9)20)19-5-6-22-10(8-19)14(15,16)17/h2-4,7,10H,5-6,8H2,1H3
InChIKeyOJADOISDFRHBKY-UHFFFAOYSA-N
XLogP1.77
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one (CID 166291593) is 9-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one is Cc1cccn2c(=O)cc(N3CCOC(C(F)(F)F)C3)nc12.
What is the InChIKey of 9-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is OJADOISDFRHBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2/c1-9-3-2-4-20-12(21)7-11(18-13(9)20)19-5-6-22-10(8-19)14(15,16)17/h2-4,7,10H,5-6,8H2,1H3.
What are the key properties of 9-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one?
9-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 313.28 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 166291593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).