2-[(3R)-3-methylmorpholin-4-yl]-9-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

C17H21F3N6O3 — CID 118104544

IUPAC2-[(3R)-3-methylmorpholin-4-yl]-9-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCc1nc(CN2CCC(C(F)(F)F)n3c2nc(N2CCOC[C@H]2C)cc3=O)no1
InChIInChI=1S/C17H21F3N6O3/c1-10-9-28-6-5-25(10)14-7-15(27)26-12(17(18,19)20)3-4-24(16(26)22-14)8-13-21-11(2)29-23-13/h7,10,12H,3-6,8-9H2,1-2H3/t10-,12?/m1/s1
InChIKeyVXWZMKVAGNIOKI-RWANSRKNSA-N
MW414.39 g/mol
LogP1.67
Rot. Bonds3

About 2-[(3R)-3-methylmorpholin-4-yl]-9-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

2-[(3R)-3-methylmorpholin-4-yl]-9-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (PubChem CID 118104544) has the molecular formula C17H21F3N6O3 and a molecular weight of 414.39 g/mol. Its IUPAC name is 2-[(3R)-3-methylmorpholin-4-yl]-9-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(3R)-3-methylmorpholin-4-yl]-9-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
PubChem CID118104544
Molecular FormulaC17H21F3N6O3
Molecular Weight414.39 g/mol
Exact Mass414.16
IUPAC Name2-[(3R)-3-methylmorpholin-4-yl]-9-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCc1nc(CN2CCC(C(F)(F)F)n3c2nc(N2CCOC[C@H]2C)cc3=O)no1
InChIInChI=1S/C17H21F3N6O3/c1-10-9-28-6-5-25(10)14-7-15(27)26-12(17(18,19)20)3-4-24(16(26)22-14)8-13-21-11(2)29-23-13/h7,10,12H,3-6,8-9H2,1-2H3/t10-,12?/m1/s1
InChIKeyVXWZMKVAGNIOKI-RWANSRKNSA-N
XLogP1.67
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.39
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-methylmorpholin-4-yl]-9-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(3R)-3-methylmorpholin-4-yl]-9-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (CID 118104544) is 2-[(3R)-3-methylmorpholin-4-yl]-9-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(3R)-3-methylmorpholin-4-yl]-9-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(3R)-3-methylmorpholin-4-yl]-9-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is Cc1nc(CN2CCC(C(F)(F)F)n3c2nc(N2CCOC[C@H]2C)cc3=O)no1.
What is the InChIKey of 2-[(3R)-3-methylmorpholin-4-yl]-9-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is VXWZMKVAGNIOKI-RWANSRKNSA-N. The full InChI is InChI=1S/C17H21F3N6O3/c1-10-9-28-6-5-25(10)14-7-15(27)26-12(17(18,19)20)3-4-24(16(26)22-14)8-13-21-11(2)29-23-13/h7,10,12H,3-6,8-9H2,1-2H3/t10-,12?/m1/s1.
What are the key properties of 2-[(3R)-3-methylmorpholin-4-yl]-9-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
2-[(3R)-3-methylmorpholin-4-yl]-9-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 414.39 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-methylmorpholin-4-yl]-9-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 118104544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).