(8S)-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-2,3,6,7,8,9-hexahydropyrimido[1,2-a]pyrimidin-4-one

C13H19F3N4O2 — CID 146674738

IUPAC(8S)-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-2,3,6,7,8,9-hexahydropyrimido[1,2-a]pyrimidin-4-one
SMILESC[C@@H]1COCCN1C1CC(=O)N2CC[C@@H](C(F)(F)F)NC2=N1
InChIInChI=1S/C13H19F3N4O2/c1-8-7-22-5-4-19(8)10-6-11(21)20-3-2-9(13(14,15)16)17-12(20)18-10/h8-10H,2-7H2,1H3,(H,17,18)/t8-,9+,10?/m1/s1
InChIKeyHFBQYJHRQPEQSG-ZDGBYWQASA-N
MW320.32 g/mol
LogP0.55
Rot. Bonds1

About (8S)-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-2,3,6,7,8,9-hexahydropyrimido[1,2-a]pyrimidin-4-one

(8S)-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-2,3,6,7,8,9-hexahydropyrimido[1,2-a]pyrimidin-4-one (PubChem CID 146674738) has the molecular formula C13H19F3N4O2 and a molecular weight of 320.32 g/mol. Its IUPAC name is (8S)-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-2,3,6,7,8,9-hexahydropyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name(8S)-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-2,3,6,7,8,9-hexahydropyrimido[1,2-a]pyrimidin-4-one
PubChem CID146674738
Molecular FormulaC13H19F3N4O2
Molecular Weight320.32 g/mol
Exact Mass320.15
IUPAC Name(8S)-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-2,3,6,7,8,9-hexahydropyrimido[1,2-a]pyrimidin-4-one
SMILESC[C@@H]1COCCN1C1CC(=O)N2CC[C@@H](C(F)(F)F)NC2=N1
InChIInChI=1S/C13H19F3N4O2/c1-8-7-22-5-4-19(8)10-6-11(21)20-3-2-9(13(14,15)16)17-12(20)18-10/h8-10H,2-7H2,1H3,(H,17,18)/t8-,9+,10?/m1/s1
InChIKeyHFBQYJHRQPEQSG-ZDGBYWQASA-N
XLogP0.55
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (8S)-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-2,3,6,7,8,9-hexahydropyrimido[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

Related Compounds

4-[(3R)-3-methylmorpholin-4-yl]-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]piperidin-2-one
CID 163200050
4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(trifluoromethyl)phenyl]piperidin-2-one
CID 162533422
4-(3-methylmorpholin-4-yl)oxolan-2-one
CID 131085919
3-[(5-chloro-3-pyridinyl)methyl]-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
CID 172747944
4-cyclobutyl-3-methylmorpholine
CID 131084475
2-(3-methylmorpholin-4-yl)cyclooctan-1-amine
CID 43542065
4-(3-bicyclo[3.1.0]hexanyl)-3-methylmorpholine
CID 144865906
(3R)-3-methyl-4-piperidin-3-ylmorpholine
CID 130978960
6-(2-chlorophenyl)-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one
CID 162533421
(3R)-4-(1-tert-butylpiperidin-4-yl)-3-methylmorpholine
CID 118531607
(8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-(3-methyl-2-oxobutyl)-8-(trifluoromethyl)-3,6,7,8-tetrahydropyrimido[1,2-a]pyrimidin-9-ium-4-one
CID 117072310
5-[5-[3-[(3S)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexa-1,4-dienyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine
CID 153185874

Frequently Asked Questions

What is the IUPAC name of (8S)-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-2,3,6,7,8,9-hexahydropyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of (8S)-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-2,3,6,7,8,9-hexahydropyrimido[1,2-a]pyrimidin-4-one (CID 146674738) is (8S)-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-2,3,6,7,8,9-hexahydropyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for (8S)-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-2,3,6,7,8,9-hexahydropyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for (8S)-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-2,3,6,7,8,9-hexahydropyrimido[1,2-a]pyrimidin-4-one is C[C@@H]1COCCN1C1CC(=O)N2CC[C@@H](C(F)(F)F)NC2=N1.
What is the InChIKey of (8S)-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-2,3,6,7,8,9-hexahydropyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is HFBQYJHRQPEQSG-ZDGBYWQASA-N. The full InChI is InChI=1S/C13H19F3N4O2/c1-8-7-22-5-4-19(8)10-6-11(21)20-3-2-9(13(14,15)16)17-12(20)18-10/h8-10H,2-7H2,1H3,(H,17,18)/t8-,9+,10?/m1/s1.
What are the key properties of (8S)-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-2,3,6,7,8,9-hexahydropyrimido[1,2-a]pyrimidin-4-one?
(8S)-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-2,3,6,7,8,9-hexahydropyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 320.32 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-2,3,6,7,8,9-hexahydropyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 146674738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).