(8S)-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;1H-pyrimidin-6-one

C23H28F3N7O4 — CID 158847334

IUPAC(8S)-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;1H-pyrimidin-6-one
SMILESCc1cc(CN2c3nc(N4[C@H](C)COC[C@H]4C)cc(=O)n3CC[C@H]2C(F)(F)F)on1.O=c1ccnc[nH]1
InChIInChI=1S/C19H24F3N5O3.C4H4N2O/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;7-4-1-2-5-3-6-4/h6-7,12-13,15H,4-5,8-10H2,1-3H3;1-3H,(H,5,6,7)/t12-,13-,15+;/m1./s1
InChIKeyIYZPLTUVXPZOSH-MSXVLYCHSA-N
MW523.52 g/mol
LogP2.26
Rot. Bonds3

About (8S)-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;1H-pyrimidin-6-one

(8S)-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;1H-pyrimidin-6-one (PubChem CID 158847334) has the molecular formula C23H28F3N7O4 and a molecular weight of 523.52 g/mol. Its IUPAC name is (8S)-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;1H-pyrimidin-6-one.

Molecular Properties

Compound Name(8S)-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;1H-pyrimidin-6-one
PubChem CID158847334
Molecular FormulaC23H28F3N7O4
Molecular Weight523.52 g/mol
Exact Mass523.22
IUPAC Name(8S)-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;1H-pyrimidin-6-one
SMILESCc1cc(CN2c3nc(N4[C@H](C)COC[C@H]4C)cc(=O)n3CC[C@H]2C(F)(F)F)on1.O=c1ccnc[nH]1
InChIInChI=1S/C19H24F3N5O3.C4H4N2O/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;7-4-1-2-5-3-6-4/h6-7,12-13,15H,4-5,8-10H2,1-3H3;1-3H,(H,5,6,7)/t12-,13-,15+;/m1./s1
InChIKeyIYZPLTUVXPZOSH-MSXVLYCHSA-N
XLogP2.26
TPSA122.38 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.52
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze (8S)-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;1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (8S)-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;1H-pyrimidin-6-one?
The IUPAC name of (8S)-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;1H-pyrimidin-6-one (CID 158847334) is (8S)-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;1H-pyrimidin-6-one.
What is the SMILES notation for (8S)-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;1H-pyrimidin-6-one?
The canonical SMILES for (8S)-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;1H-pyrimidin-6-one is Cc1cc(CN2c3nc(N4[C@H](C)COC[C@H]4C)cc(=O)n3CC[C@H]2C(F)(F)F)on1.O=c1ccnc[nH]1.
What is the InChIKey of (8S)-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;1H-pyrimidin-6-one?
The InChIKey is IYZPLTUVXPZOSH-MSXVLYCHSA-N. The full InChI is InChI=1S/C19H24F3N5O3.C4H4N2O/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;7-4-1-2-5-3-6-4/h6-7,12-13,15H,4-5,8-10H2,1-3H3;1-3H,(H,5,6,7)/t12-,13-,15+;/m1./s1.
What are the key properties of (8S)-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;1H-pyrimidin-6-one?
(8S)-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;1H-pyrimidin-6-one has a molecular weight of 523.52 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-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;1H-pyrimidin-6-one is sourced from PubChem (CID 158847334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).