(8S)-9-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

C18H21F3N6O3 — CID 139523169

IUPAC(8S)-9-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(N2CCOCC2)nc2n1CC[C@@H](C(F)(F)F)N2Cc1nc(C2CC2)no1
InChIInChI=1S/C18H21F3N6O3/c19-18(20,21)12-3-4-26-15(28)9-13(25-5-7-29-8-6-25)22-17(26)27(12)10-14-23-16(24-30-14)11-1-2-11/h9,11-12H,1-8,10H2/t12-/m0/s1
InChIKeyIPCGCWIQFLAFIE-LBPRGKRZSA-N
MW426.40 g/mol
LogP1.68
Rot. Bonds4

About (8S)-9-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

(8S)-9-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (PubChem CID 139523169) has the molecular formula C18H21F3N6O3 and a molecular weight of 426.40 g/mol. Its IUPAC name is (8S)-9-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name(8S)-9-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
PubChem CID139523169
Molecular FormulaC18H21F3N6O3
Molecular Weight426.40 g/mol
Exact Mass426.16
IUPAC Name(8S)-9-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(N2CCOCC2)nc2n1CC[C@@H](C(F)(F)F)N2Cc1nc(C2CC2)no1
InChIInChI=1S/C18H21F3N6O3/c19-18(20,21)12-3-4-26-15(28)9-13(25-5-7-29-8-6-25)22-17(26)27(12)10-14-23-16(24-30-14)11-1-2-11/h9,11-12H,1-8,10H2/t12-/m0/s1
InChIKeyIPCGCWIQFLAFIE-LBPRGKRZSA-N
XLogP1.68
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.40
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze (8S)-9-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8S)-9-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of (8S)-9-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (CID 139523169) is (8S)-9-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for (8S)-9-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for (8S)-9-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is O=c1cc(N2CCOCC2)nc2n1CC[C@@H](C(F)(F)F)N2Cc1nc(C2CC2)no1.
What is the InChIKey of (8S)-9-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is IPCGCWIQFLAFIE-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H21F3N6O3/c19-18(20,21)12-3-4-26-15(28)9-13(25-5-7-29-8-6-25)22-17(26)27(12)10-14-23-16(24-30-14)11-1-2-11/h9,11-12H,1-8,10H2/t12-/m0/s1.
What are the key properties of (8S)-9-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
(8S)-9-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 426.40 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-9-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 139523169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).