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

C17H20F3N5O3 — CID 118091456

IUPAC2-(3-methylmorpholin-4-yl)-9-(1,2-oxazol-3-ylmethyl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCC1COCCN1c1cc(=O)n2c(n1)N(Cc1ccon1)CCC2C(F)(F)F
InChIInChI=1S/C17H20F3N5O3/c1-11-10-27-7-5-24(11)14-8-15(26)25-13(17(18,19)20)2-4-23(16(25)21-14)9-12-3-6-28-22-12/h3,6,8,11,13H,2,4-5,7,9-10H2,1H3
InChIKeyHUMUSAAABSHANK-UHFFFAOYSA-N
MW399.37 g/mol
LogP1.97
Rot. Bonds3

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

2-(3-methylmorpholin-4-yl)-9-(1,2-oxazol-3-ylmethyl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (PubChem CID 118091456) has the molecular formula C17H20F3N5O3 and a molecular weight of 399.37 g/mol. Its IUPAC name is 2-(3-methylmorpholin-4-yl)-9-(1,2-oxazol-3-ylmethyl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-methylmorpholin-4-yl)-9-(1,2-oxazol-3-ylmethyl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
PubChem CID118091456
Molecular FormulaC17H20F3N5O3
Molecular Weight399.37 g/mol
Exact Mass399.15
IUPAC Name2-(3-methylmorpholin-4-yl)-9-(1,2-oxazol-3-ylmethyl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCC1COCCN1c1cc(=O)n2c(n1)N(Cc1ccon1)CCC2C(F)(F)F
InChIInChI=1S/C17H20F3N5O3/c1-11-10-27-7-5-24(11)14-8-15(26)25-13(17(18,19)20)2-4-23(16(25)21-14)9-12-3-6-28-22-12/h3,6,8,11,13H,2,4-5,7,9-10H2,1H3
InChIKeyHUMUSAAABSHANK-UHFFFAOYSA-N
XLogP1.97
TPSA76.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.37
LogP ≤ 51.97
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-(1,2-oxazol-3-ylmethyl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(3-methylmorpholin-4-yl)-9-(1,2-oxazol-3-ylmethyl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (CID 118091456) is 2-(3-methylmorpholin-4-yl)-9-(1,2-oxazol-3-ylmethyl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(3-methylmorpholin-4-yl)-9-(1,2-oxazol-3-ylmethyl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(3-methylmorpholin-4-yl)-9-(1,2-oxazol-3-ylmethyl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is CC1COCCN1c1cc(=O)n2c(n1)N(Cc1ccon1)CCC2C(F)(F)F.
What is the InChIKey of 2-(3-methylmorpholin-4-yl)-9-(1,2-oxazol-3-ylmethyl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is HUMUSAAABSHANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O3/c1-11-10-27-7-5-24(11)14-8-15(26)25-13(17(18,19)20)2-4-23(16(25)21-14)9-12-3-6-28-22-12/h3,6,8,11,13H,2,4-5,7,9-10H2,1H3.
What are the key properties of 2-(3-methylmorpholin-4-yl)-9-(1,2-oxazol-3-ylmethyl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
2-(3-methylmorpholin-4-yl)-9-(1,2-oxazol-3-ylmethyl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 399.37 g/mol, XLogP of 1.97, 3 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-(1,2-oxazol-3-ylmethyl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 118091456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).