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

C16H20F4N4O3 — CID 118091521

IUPAC(6R)-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-(2-oxopropyl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCC(=O)CN1CC[C@H](C(F)(F)F)n2c1nc(N1CCOC[C@H]1C)c(F)c2=O
InChIInChI=1S/C16H20F4N4O3/c1-9-8-27-6-5-23(9)13-12(17)14(26)24-11(16(18,19)20)3-4-22(7-10(2)25)15(24)21-13/h9,11H,3-8H2,1-2H3/t9-,11-/m1/s1
InChIKeyPSCYVNPEKUJYGE-MWLCHTKSSA-N
MW392.35 g/mol
LogP1.51
Rot. Bonds3

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

(6R)-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-(2-oxopropyl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (PubChem CID 118091521) has the molecular formula C16H20F4N4O3 and a molecular weight of 392.35 g/mol. Its IUPAC name is (6R)-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-(2-oxopropyl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name(6R)-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-(2-oxopropyl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
PubChem CID118091521
Molecular FormulaC16H20F4N4O3
Molecular Weight392.35 g/mol
Exact Mass392.15
IUPAC Name(6R)-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-(2-oxopropyl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCC(=O)CN1CC[C@H](C(F)(F)F)n2c1nc(N1CCOC[C@H]1C)c(F)c2=O
InChIInChI=1S/C16H20F4N4O3/c1-9-8-27-6-5-23(9)13-12(17)14(26)24-11(16(18,19)20)3-4-22(7-10(2)25)15(24)21-13/h9,11H,3-8H2,1-2H3/t9-,11-/m1/s1
InChIKeyPSCYVNPEKUJYGE-MWLCHTKSSA-N
XLogP1.51
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.35
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (6R)-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-(2-oxopropyl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

9-(2-cyclopropyl-2-oxoethyl)-3-fluoro-2-(3-methylmorpholin-4-yl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118091453
3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-[2-(oxan-4-yl)-2-oxoethyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118104570
3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-(2-oxobutyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118104569
(8S)-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-(4-methyl-2-oxopentyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118104529
3-fluoro-9-(2-hydroxy-2-methylpropyl)-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118091615
3-fluoro-9-(2-hydroxypropyl)-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 162602345
3-fluoro-2-(3-methylmorpholin-4-yl)-9-(5-methyl-2-oxohexyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 123534397
(6R)-9-[6-(difluoromethyl)-3-pyridinyl]-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118091781
9-[(2S)-2-cyclopropyl-2-fluoroethyl]-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118091643
3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 162602371
3-fluoro-9-(2-hydroxy-2-piperidin-1-ylethyl)-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 123158912
(8S)-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 72709365

Frequently Asked Questions

What is the IUPAC name of (6R)-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-(2-oxopropyl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of (6R)-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-(2-oxopropyl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (CID 118091521) is (6R)-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-(2-oxopropyl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for (6R)-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-(2-oxopropyl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for (6R)-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-(2-oxopropyl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is CC(=O)CN1CC[C@H](C(F)(F)F)n2c1nc(N1CCOC[C@H]1C)c(F)c2=O.
What is the InChIKey of (6R)-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-(2-oxopropyl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is PSCYVNPEKUJYGE-MWLCHTKSSA-N. The full InChI is InChI=1S/C16H20F4N4O3/c1-9-8-27-6-5-23(9)13-12(17)14(26)24-11(16(18,19)20)3-4-22(7-10(2)25)15(24)21-13/h9,11H,3-8H2,1-2H3/t9-,11-/m1/s1.
What are the key properties of (6R)-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-(2-oxopropyl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
(6R)-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-(2-oxopropyl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 392.35 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-(2-oxopropyl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 118091521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).