2-(3-methylmorpholin-4-yl)-9-[(6-propan-2-yloxy-3-pyridinyl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

C22H28F3N5O3 — CID 118091459

IUPAC2-(3-methylmorpholin-4-yl)-9-[(6-propan-2-yloxy-3-pyridinyl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCC(C)Oc1ccc(CN2c3nc(N4CCOCC4C)cc(=O)n3CCC2C(F)(F)F)cn1
InChIInChI=1S/C22H28F3N5O3/c1-14(2)33-19-5-4-16(11-26-19)12-30-17(22(23,24)25)6-7-29-20(31)10-18(27-21(29)30)28-8-9-32-13-15(28)3/h4-5,10-11,14-15,17H,6-9,12-13H2,1-3H3
InChIKeyVYDPNEYPLNJXND-UHFFFAOYSA-N
MW467.49 g/mol
LogP2.99
Rot. Bonds5

About 2-(3-methylmorpholin-4-yl)-9-[(6-propan-2-yloxy-3-pyridinyl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

2-(3-methylmorpholin-4-yl)-9-[(6-propan-2-yloxy-3-pyridinyl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (PubChem CID 118091459) has the molecular formula C22H28F3N5O3 and a molecular weight of 467.49 g/mol. Its IUPAC name is 2-(3-methylmorpholin-4-yl)-9-[(6-propan-2-yloxy-3-pyridinyl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-methylmorpholin-4-yl)-9-[(6-propan-2-yloxy-3-pyridinyl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
PubChem CID118091459
Molecular FormulaC22H28F3N5O3
Molecular Weight467.49 g/mol
Exact Mass467.21
IUPAC Name2-(3-methylmorpholin-4-yl)-9-[(6-propan-2-yloxy-3-pyridinyl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCC(C)Oc1ccc(CN2c3nc(N4CCOCC4C)cc(=O)n3CCC2C(F)(F)F)cn1
InChIInChI=1S/C22H28F3N5O3/c1-14(2)33-19-5-4-16(11-26-19)12-30-17(22(23,24)25)6-7-29-20(31)10-18(27-21(29)30)28-8-9-32-13-15(28)3/h4-5,10-11,14-15,17H,6-9,12-13H2,1-3H3
InChIKeyVYDPNEYPLNJXND-UHFFFAOYSA-N
XLogP2.99
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.49
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylmorpholin-4-yl)-9-[(6-propan-2-yloxy-3-pyridinyl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(3-methylmorpholin-4-yl)-9-[(6-propan-2-yloxy-3-pyridinyl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (CID 118091459) is 2-(3-methylmorpholin-4-yl)-9-[(6-propan-2-yloxy-3-pyridinyl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(3-methylmorpholin-4-yl)-9-[(6-propan-2-yloxy-3-pyridinyl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(3-methylmorpholin-4-yl)-9-[(6-propan-2-yloxy-3-pyridinyl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is CC(C)Oc1ccc(CN2c3nc(N4CCOCC4C)cc(=O)n3CCC2C(F)(F)F)cn1.
What is the InChIKey of 2-(3-methylmorpholin-4-yl)-9-[(6-propan-2-yloxy-3-pyridinyl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is VYDPNEYPLNJXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F3N5O3/c1-14(2)33-19-5-4-16(11-26-19)12-30-17(22(23,24)25)6-7-29-20(31)10-18(27-21(29)30)28-8-9-32-13-15(28)3/h4-5,10-11,14-15,17H,6-9,12-13H2,1-3H3.
What are the key properties of 2-(3-methylmorpholin-4-yl)-9-[(6-propan-2-yloxy-3-pyridinyl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
2-(3-methylmorpholin-4-yl)-9-[(6-propan-2-yloxy-3-pyridinyl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 467.49 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylmorpholin-4-yl)-9-[(6-propan-2-yloxy-3-pyridinyl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 118091459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).