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

C21H24ClF3N4O4 — CID 75306194

IUPAC9-[2-(4-chloro-2-methoxyphenyl)-2-hydroxyethyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCOc1cc(Cl)ccc1C(O)CN1c2nc(N3CCOCC3)cc(=O)n2CCC1C(F)(F)F
InChIInChI=1S/C21H24ClF3N4O4/c1-32-16-10-13(22)2-3-14(16)15(30)12-29-17(21(23,24)25)4-5-28-19(31)11-18(26-20(28)29)27-6-8-33-9-7-27/h2-3,10-11,15,17,30H,4-9,12H2,1H3
InChIKeyCVAGNEYTTLHBOR-UHFFFAOYSA-N
MW488.89 g/mol
LogP2.62
Rot. Bonds5

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

9-[2-(4-chloro-2-methoxyphenyl)-2-hydroxyethyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (PubChem CID 75306194) has the molecular formula C21H24ClF3N4O4 and a molecular weight of 488.89 g/mol. Its IUPAC name is 9-[2-(4-chloro-2-methoxyphenyl)-2-hydroxyethyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-[2-(4-chloro-2-methoxyphenyl)-2-hydroxyethyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
PubChem CID75306194
Molecular FormulaC21H24ClF3N4O4
Molecular Weight488.89 g/mol
Exact Mass488.14
IUPAC Name9-[2-(4-chloro-2-methoxyphenyl)-2-hydroxyethyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCOc1cc(Cl)ccc1C(O)CN1c2nc(N3CCOCC3)cc(=O)n2CCC1C(F)(F)F
InChIInChI=1S/C21H24ClF3N4O4/c1-32-16-10-13(22)2-3-14(16)15(30)12-29-17(21(23,24)25)4-5-28-19(31)11-18(26-20(28)29)27-6-8-33-9-7-27/h2-3,10-11,15,17,30H,4-9,12H2,1H3
InChIKeyCVAGNEYTTLHBOR-UHFFFAOYSA-N
XLogP2.62
TPSA80.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.89
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(4-chloro-2-methoxyphenyl)-2-hydroxyethyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-[2-(4-chloro-2-methoxyphenyl)-2-hydroxyethyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (CID 75306194) is 9-[2-(4-chloro-2-methoxyphenyl)-2-hydroxyethyl]-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-(4-chloro-2-methoxyphenyl)-2-hydroxyethyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-[2-(4-chloro-2-methoxyphenyl)-2-hydroxyethyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is COc1cc(Cl)ccc1C(O)CN1c2nc(N3CCOCC3)cc(=O)n2CCC1C(F)(F)F.
What is the InChIKey of 9-[2-(4-chloro-2-methoxyphenyl)-2-hydroxyethyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is CVAGNEYTTLHBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClF3N4O4/c1-32-16-10-13(22)2-3-14(16)15(30)12-29-17(21(23,24)25)4-5-28-19(31)11-18(26-20(28)29)27-6-8-33-9-7-27/h2-3,10-11,15,17,30H,4-9,12H2,1H3.
What are the key properties of 9-[2-(4-chloro-2-methoxyphenyl)-2-hydroxyethyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
9-[2-(4-chloro-2-methoxyphenyl)-2-hydroxyethyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 488.89 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4-chloro-2-methoxyphenyl)-2-hydroxyethyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 75306194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).