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

C19H22F3N5O4 — CID 118091387

IUPAC2-(3-methylmorpholin-4-yl)-9-[2-(3-methyl-1,2-oxazol-4-yl)-2-oxoethyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCc1nocc1C(=O)CN1c2nc(N3CCOCC3C)cc(=O)n2CCC1C(F)(F)F
InChIInChI=1S/C19H22F3N5O4/c1-11-9-30-6-5-25(11)16-7-17(29)26-4-3-15(19(20,21)22)27(18(26)23-16)8-14(28)13-10-31-24-12(13)2/h7,10-11,15H,3-6,8-9H2,1-2H3
InChIKeyNGURCWHGULUDPO-UHFFFAOYSA-N
MW441.41 g/mol
LogP1.79
Rot. Bonds4

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

2-(3-methylmorpholin-4-yl)-9-[2-(3-methyl-1,2-oxazol-4-yl)-2-oxoethyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (PubChem CID 118091387) has the molecular formula C19H22F3N5O4 and a molecular weight of 441.41 g/mol. Its IUPAC name is 2-(3-methylmorpholin-4-yl)-9-[2-(3-methyl-1,2-oxazol-4-yl)-2-oxoethyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-methylmorpholin-4-yl)-9-[2-(3-methyl-1,2-oxazol-4-yl)-2-oxoethyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
PubChem CID118091387
Molecular FormulaC19H22F3N5O4
Molecular Weight441.41 g/mol
Exact Mass441.16
IUPAC Name2-(3-methylmorpholin-4-yl)-9-[2-(3-methyl-1,2-oxazol-4-yl)-2-oxoethyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCc1nocc1C(=O)CN1c2nc(N3CCOCC3C)cc(=O)n2CCC1C(F)(F)F
InChIInChI=1S/C19H22F3N5O4/c1-11-9-30-6-5-25(11)16-7-17(29)26-4-3-15(19(20,21)22)27(18(26)23-16)8-14(28)13-10-31-24-12(13)2/h7,10-11,15H,3-6,8-9H2,1-2H3
InChIKeyNGURCWHGULUDPO-UHFFFAOYSA-N
XLogP1.79
TPSA93.70 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.41
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-(3-methylmorpholin-4-yl)-9-[2-(3-methyl-1,2-oxazol-4-yl)-2-oxoethyl]-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 2-(3-methylmorpholin-4-yl)-9-[2-(3-methyl-1,2-oxazol-4-yl)-2-oxoethyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(3-methylmorpholin-4-yl)-9-[2-(3-methyl-1,2-oxazol-4-yl)-2-oxoethyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (CID 118091387) is 2-(3-methylmorpholin-4-yl)-9-[2-(3-methyl-1,2-oxazol-4-yl)-2-oxoethyl]-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-[2-(3-methyl-1,2-oxazol-4-yl)-2-oxoethyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(3-methylmorpholin-4-yl)-9-[2-(3-methyl-1,2-oxazol-4-yl)-2-oxoethyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is Cc1nocc1C(=O)CN1c2nc(N3CCOCC3C)cc(=O)n2CCC1C(F)(F)F.
What is the InChIKey of 2-(3-methylmorpholin-4-yl)-9-[2-(3-methyl-1,2-oxazol-4-yl)-2-oxoethyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is NGURCWHGULUDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N5O4/c1-11-9-30-6-5-25(11)16-7-17(29)26-4-3-15(19(20,21)22)27(18(26)23-16)8-14(28)13-10-31-24-12(13)2/h7,10-11,15H,3-6,8-9H2,1-2H3.
What are the key properties of 2-(3-methylmorpholin-4-yl)-9-[2-(3-methyl-1,2-oxazol-4-yl)-2-oxoethyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
2-(3-methylmorpholin-4-yl)-9-[2-(3-methyl-1,2-oxazol-4-yl)-2-oxoethyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 441.41 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylmorpholin-4-yl)-9-[2-(3-methyl-1,2-oxazol-4-yl)-2-oxoethyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 118091387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).