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

C18H22F3N5O3 — CID 72709515

IUPAC(8S)-2-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-9-(1,2-oxazol-5-ylmethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESC[C@@H]1COC[C@@H](C)N1c1cc(=O)n2c(n1)N(Cc1ccno1)[C@H](C(F)(F)F)CC2
InChIInChI=1S/C18H22F3N5O3/c1-11-9-28-10-12(2)26(11)15-7-16(27)24-6-4-14(18(19,20)21)25(17(24)23-15)8-13-3-5-22-29-13/h3,5,7,11-12,14H,4,6,8-10H2,1-2H3/t11-,12-,14+/m1/s1
InChIKeyQUWSZAYDKSHBNB-BZPMIXESSA-N
MW413.40 g/mol
LogP2.19
Rot. Bonds3

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

(8S)-2-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-9-(1,2-oxazol-5-ylmethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (PubChem CID 72709515) has the molecular formula C18H22F3N5O3 and a molecular weight of 413.40 g/mol. Its IUPAC name is (8S)-2-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-9-(1,2-oxazol-5-ylmethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name(8S)-2-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-9-(1,2-oxazol-5-ylmethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
PubChem CID72709515
Molecular FormulaC18H22F3N5O3
Molecular Weight413.40 g/mol
Exact Mass413.17
IUPAC Name(8S)-2-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-9-(1,2-oxazol-5-ylmethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESC[C@@H]1COC[C@@H](C)N1c1cc(=O)n2c(n1)N(Cc1ccno1)[C@H](C(F)(F)F)CC2
InChIInChI=1S/C18H22F3N5O3/c1-11-9-28-10-12(2)26(11)15-7-16(27)24-6-4-14(18(19,20)21)25(17(24)23-15)8-13-3-5-22-29-13/h3,5,7,11-12,14H,4,6,8-10H2,1-2H3/t11-,12-,14+/m1/s1
InChIKeyQUWSZAYDKSHBNB-BZPMIXESSA-N
XLogP2.19
TPSA76.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.40
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (8S)-2-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-9-(1,2-oxazol-5-ylmethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-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-(1,2-oxazol-5-ylmethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of (8S)-2-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-9-(1,2-oxazol-5-ylmethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (CID 72709515) is (8S)-2-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-9-(1,2-oxazol-5-ylmethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for (8S)-2-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-9-(1,2-oxazol-5-ylmethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for (8S)-2-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-9-(1,2-oxazol-5-ylmethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is C[C@@H]1COC[C@@H](C)N1c1cc(=O)n2c(n1)N(Cc1ccno1)[C@H](C(F)(F)F)CC2.
What is the InChIKey of (8S)-2-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-9-(1,2-oxazol-5-ylmethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is QUWSZAYDKSHBNB-BZPMIXESSA-N. The full InChI is InChI=1S/C18H22F3N5O3/c1-11-9-28-10-12(2)26(11)15-7-16(27)24-6-4-14(18(19,20)21)25(17(24)23-15)8-13-3-5-22-29-13/h3,5,7,11-12,14H,4,6,8-10H2,1-2H3/t11-,12-,14+/m1/s1.
What are the key properties of (8S)-2-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-9-(1,2-oxazol-5-ylmethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
(8S)-2-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-9-(1,2-oxazol-5-ylmethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 413.40 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-2-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-9-(1,2-oxazol-5-ylmethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 72709515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).