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

C19H24F3N5O3 — CID 118091731

IUPAC2-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-9-[(3-methyl-1,2-oxazol-5-yl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCc1cc(CN2c3nc(N4[C@H](C)COC[C@H]4C)cc(=O)n3CCC2C(F)(F)F)on1
InChIInChI=1S/C19H24F3N5O3/c1-11-6-14(30-24-11)8-26-15(19(20,21)22)4-5-25-17(28)7-16(23-18(25)26)27-12(2)9-29-10-13(27)3/h6-7,12-13,15H,4-5,8-10H2,1-3H3/t12-,13-,15?/m1/s1
InChIKeyVDVIKPPALRJMKH-HCYNLOQUSA-N
MW427.43 g/mol
LogP2.49
Rot. Bonds3

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

2-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-9-[(3-methyl-1,2-oxazol-5-yl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (PubChem CID 118091731) has the molecular formula C19H24F3N5O3 and a molecular weight of 427.43 g/mol. Its IUPAC name is 2-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-9-[(3-methyl-1,2-oxazol-5-yl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-9-[(3-methyl-1,2-oxazol-5-yl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
PubChem CID118091731
Molecular FormulaC19H24F3N5O3
Molecular Weight427.43 g/mol
Exact Mass427.18
IUPAC Name2-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-9-[(3-methyl-1,2-oxazol-5-yl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCc1cc(CN2c3nc(N4[C@H](C)COC[C@H]4C)cc(=O)n3CCC2C(F)(F)F)on1
InChIInChI=1S/C19H24F3N5O3/c1-11-6-14(30-24-11)8-26-15(19(20,21)22)4-5-25-17(28)7-16(23-18(25)26)27-12(2)9-29-10-13(27)3/h6-7,12-13,15H,4-5,8-10H2,1-3H3/t12-,13-,15?/m1/s1
InChIKeyVDVIKPPALRJMKH-HCYNLOQUSA-N
XLogP2.49
TPSA76.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-9-[(3-methyl-1,2-oxazol-5-yl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-9-[(3-methyl-1,2-oxazol-5-yl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (CID 118091731) is 2-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-9-[(3-methyl-1,2-oxazol-5-yl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-9-[(3-methyl-1,2-oxazol-5-yl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-9-[(3-methyl-1,2-oxazol-5-yl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is Cc1cc(CN2c3nc(N4[C@H](C)COC[C@H]4C)cc(=O)n3CCC2C(F)(F)F)on1.
What is the InChIKey of 2-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-9-[(3-methyl-1,2-oxazol-5-yl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is VDVIKPPALRJMKH-HCYNLOQUSA-N. The full InChI is InChI=1S/C19H24F3N5O3/c1-11-6-14(30-24-11)8-26-15(19(20,21)22)4-5-25-17(28)7-16(23-18(25)26)27-12(2)9-29-10-13(27)3/h6-7,12-13,15H,4-5,8-10H2,1-3H3/t12-,13-,15?/m1/s1.
What are the key properties of 2-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-9-[(3-methyl-1,2-oxazol-5-yl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
2-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-9-[(3-methyl-1,2-oxazol-5-yl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 427.43 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-9-[(3-methyl-1,2-oxazol-5-yl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 118091731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).