9-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

C21H25F3N4O4 — CID 75306164

IUPAC9-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCOc1ccccc1C(O)CN1c2nc(N3CCOCC3)cc(=O)n2CCC1C(F)(F)F
InChIInChI=1S/C21H25F3N4O4/c1-31-16-5-3-2-4-14(16)15(29)13-28-17(21(22,23)24)6-7-27-19(30)12-18(25-20(27)28)26-8-10-32-11-9-26/h2-5,12,15,17,29H,6-11,13H2,1H3
InChIKeyOKJPIARESYKRCE-UHFFFAOYSA-N
MW454.45 g/mol
LogP1.96
Rot. Bonds5

About 9-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

9-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (PubChem CID 75306164) has the molecular formula C21H25F3N4O4 and a molecular weight of 454.45 g/mol. Its IUPAC name is 9-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
PubChem CID75306164
Molecular FormulaC21H25F3N4O4
Molecular Weight454.45 g/mol
Exact Mass454.18
IUPAC Name9-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCOc1ccccc1C(O)CN1c2nc(N3CCOCC3)cc(=O)n2CCC1C(F)(F)F
InChIInChI=1S/C21H25F3N4O4/c1-31-16-5-3-2-4-14(16)15(29)13-28-17(21(22,23)24)6-7-27-19(30)12-18(25-20(27)28)26-8-10-32-11-9-26/h2-5,12,15,17,29H,6-11,13H2,1H3
InChIKeyOKJPIARESYKRCE-UHFFFAOYSA-N
XLogP1.96
TPSA80.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.45
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 9-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (CID 75306164) is 9-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is COc1ccccc1C(O)CN1c2nc(N3CCOCC3)cc(=O)n2CCC1C(F)(F)F.
What is the InChIKey of 9-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is OKJPIARESYKRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N4O4/c1-31-16-5-3-2-4-14(16)15(29)13-28-17(21(22,23)24)6-7-27-19(30)12-18(25-20(27)28)26-8-10-32-11-9-26/h2-5,12,15,17,29H,6-11,13H2,1H3.
What are the key properties of 9-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
9-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 454.45 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 75306164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).