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

C17H20F3N5O3 — CID 138525961

IUPAC2-[(3R)-3-methylmorpholin-4-yl]-9-(1,3-oxazol-5-ylmethyl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESC[C@@H]1COCCN1c1cc(=O)n2c(n1)N(Cc1cnco1)CCC2C(F)(F)F
InChIInChI=1S/C17H20F3N5O3/c1-11-9-27-5-4-24(11)14-6-15(26)25-13(17(18,19)20)2-3-23(16(25)22-14)8-12-7-21-10-28-12/h6-7,10-11,13H,2-5,8-9H2,1H3/t11-,13?/m1/s1
InChIKeyOQOOQSOMVRXNPR-JTDNENJMSA-N
MW399.37 g/mol
LogP1.97
Rot. Bonds3

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

2-[(3R)-3-methylmorpholin-4-yl]-9-(1,3-oxazol-5-ylmethyl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (PubChem CID 138525961) has the molecular formula C17H20F3N5O3 and a molecular weight of 399.37 g/mol. Its IUPAC name is 2-[(3R)-3-methylmorpholin-4-yl]-9-(1,3-oxazol-5-ylmethyl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(3R)-3-methylmorpholin-4-yl]-9-(1,3-oxazol-5-ylmethyl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
PubChem CID138525961
Molecular FormulaC17H20F3N5O3
Molecular Weight399.37 g/mol
Exact Mass399.15
IUPAC Name2-[(3R)-3-methylmorpholin-4-yl]-9-(1,3-oxazol-5-ylmethyl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESC[C@@H]1COCCN1c1cc(=O)n2c(n1)N(Cc1cnco1)CCC2C(F)(F)F
InChIInChI=1S/C17H20F3N5O3/c1-11-9-27-5-4-24(11)14-6-15(26)25-13(17(18,19)20)2-3-23(16(25)22-14)8-12-7-21-10-28-12/h6-7,10-11,13H,2-5,8-9H2,1H3/t11-,13?/m1/s1
InChIKeyOQOOQSOMVRXNPR-JTDNENJMSA-N
XLogP1.97
TPSA76.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.37
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

(6R)-2-[(3R)-3-methylmorpholin-4-yl]-9-(1,3-oxazol-2-ylmethyl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 72709206
2-[(3R)-3-methylmorpholin-4-yl]-9-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118104544
(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-methoxy-4-pyridinyl)-2-[(3R)-3-methylmorpholin-4-yl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 138525913
(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-[(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)-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-(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)-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
(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
(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
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 2-[(3R)-3-methylmorpholin-4-yl]-9-(1,3-oxazol-5-ylmethyl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(3R)-3-methylmorpholin-4-yl]-9-(1,3-oxazol-5-ylmethyl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (CID 138525961) is 2-[(3R)-3-methylmorpholin-4-yl]-9-(1,3-oxazol-5-ylmethyl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(3R)-3-methylmorpholin-4-yl]-9-(1,3-oxazol-5-ylmethyl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(3R)-3-methylmorpholin-4-yl]-9-(1,3-oxazol-5-ylmethyl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is C[C@@H]1COCCN1c1cc(=O)n2c(n1)N(Cc1cnco1)CCC2C(F)(F)F.
What is the InChIKey of 2-[(3R)-3-methylmorpholin-4-yl]-9-(1,3-oxazol-5-ylmethyl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is OQOOQSOMVRXNPR-JTDNENJMSA-N. The full InChI is InChI=1S/C17H20F3N5O3/c1-11-9-27-5-4-24(11)14-6-15(26)25-13(17(18,19)20)2-3-23(16(25)22-14)8-12-7-21-10-28-12/h6-7,10-11,13H,2-5,8-9H2,1H3/t11-,13?/m1/s1.
What are the key properties of 2-[(3R)-3-methylmorpholin-4-yl]-9-(1,3-oxazol-5-ylmethyl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
2-[(3R)-3-methylmorpholin-4-yl]-9-(1,3-oxazol-5-ylmethyl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 399.37 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-methylmorpholin-4-yl]-9-(1,3-oxazol-5-ylmethyl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 138525961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).