(8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-[(2-propan-2-yloxy-3-pyridinyl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

C22H28F3N5O3 — CID 118091363

IUPAC(8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-[(2-propan-2-yloxy-3-pyridinyl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCC(C)Oc1ncccc1CN1c2nc(N3CCOC[C@H]3C)cc(=O)n2CC[C@H]1C(F)(F)F
InChIInChI=1S/C22H28F3N5O3/c1-14(2)33-20-16(5-4-7-26-20)12-30-17(22(23,24)25)6-8-29-19(31)11-18(27-21(29)30)28-9-10-32-13-15(28)3/h4-5,7,11,14-15,17H,6,8-10,12-13H2,1-3H3/t15-,17+/m1/s1
InChIKeyKIORAQXAKMKYKD-WBVHZDCISA-N
MW467.49 g/mol
LogP2.99
Rot. Bonds5

About (8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-[(2-propan-2-yloxy-3-pyridinyl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

(8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-[(2-propan-2-yloxy-3-pyridinyl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (PubChem CID 118091363) has the molecular formula C22H28F3N5O3 and a molecular weight of 467.49 g/mol. Its IUPAC name is (8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-[(2-propan-2-yloxy-3-pyridinyl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name(8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-[(2-propan-2-yloxy-3-pyridinyl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
PubChem CID118091363
Molecular FormulaC22H28F3N5O3
Molecular Weight467.49 g/mol
Exact Mass467.21
IUPAC Name(8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-[(2-propan-2-yloxy-3-pyridinyl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCC(C)Oc1ncccc1CN1c2nc(N3CCOC[C@H]3C)cc(=O)n2CC[C@H]1C(F)(F)F
InChIInChI=1S/C22H28F3N5O3/c1-14(2)33-20-16(5-4-7-26-20)12-30-17(22(23,24)25)6-8-29-19(31)11-18(27-21(29)30)28-9-10-32-13-15(28)3/h4-5,7,11,14-15,17H,6,8-10,12-13H2,1-3H3/t15-,17+/m1/s1
InChIKeyKIORAQXAKMKYKD-WBVHZDCISA-N
XLogP2.99
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.49
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-[(2-propan-2-yloxy-3-pyridinyl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

(8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-(pyridin-2-ylmethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118091396
2-(3-methylmorpholin-4-yl)-9-[(6-propan-2-yloxy-3-pyridinyl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118091459
(8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-(2-propan-2-yloxyethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118091506
(8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-(1,2-oxazol-5-ylmethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118091705
9-[2-(3-fluoro-2-pyridinyl)-2-oxoethyl]-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118091657
(8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-(1,3-thiazol-2-ylmethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118091522
9-(2-fluoro-3-methylbutyl)-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118091371
(8S)-9-[(6-chloro-3-pyridinyl)methyl]-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 72709951
9-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118091408
(8S)-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 72709433
(8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-[2-[2-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-2-oxoethyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118091485
tert-butyl 2-[(8S)-2-(3-methylmorpholin-4-yl)-4-oxo-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-9-yl]acetate
CID 118104510

Frequently Asked Questions

What is the IUPAC name of (8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-[(2-propan-2-yloxy-3-pyridinyl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of (8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-[(2-propan-2-yloxy-3-pyridinyl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (CID 118091363) is (8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-[(2-propan-2-yloxy-3-pyridinyl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for (8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-[(2-propan-2-yloxy-3-pyridinyl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for (8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-[(2-propan-2-yloxy-3-pyridinyl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is CC(C)Oc1ncccc1CN1c2nc(N3CCOC[C@H]3C)cc(=O)n2CC[C@H]1C(F)(F)F.
What is the InChIKey of (8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-[(2-propan-2-yloxy-3-pyridinyl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is KIORAQXAKMKYKD-WBVHZDCISA-N. The full InChI is InChI=1S/C22H28F3N5O3/c1-14(2)33-20-16(5-4-7-26-20)12-30-17(22(23,24)25)6-8-29-19(31)11-18(27-21(29)30)28-9-10-32-13-15(28)3/h4-5,7,11,14-15,17H,6,8-10,12-13H2,1-3H3/t15-,17+/m1/s1.
What are the key properties of (8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-[(2-propan-2-yloxy-3-pyridinyl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
(8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-[(2-propan-2-yloxy-3-pyridinyl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 467.49 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-[(2-propan-2-yloxy-3-pyridinyl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 118091363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).