(2S)-2-methyl-8-morpholin-4-yl-1-(2-propan-2-yloxyethyl)-2-(trifluoromethyl)-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one

C18H27F3N4O3 — CID 57406940

IUPAC(2S)-2-methyl-8-morpholin-4-yl-1-(2-propan-2-yloxyethyl)-2-(trifluoromethyl)-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one
SMILESCC(C)OCCN1c2nc(N3CCOCC3)cc(=O)n2CC[C@@]1(C)C(F)(F)F
InChIInChI=1S/C18H27F3N4O3/c1-13(2)28-11-8-25-16-22-14(23-6-9-27-10-7-23)12-15(26)24(16)5-4-17(25,3)18(19,20)21/h12-13H,4-11H2,1-3H3/t17-/m0/s1
InChIKeyFAFBHLZVXDNLKV-KRWDZBQOSA-N
MW404.43 g/mol
LogP2.04
Rot. Bonds5

About (2S)-2-methyl-8-morpholin-4-yl-1-(2-propan-2-yloxyethyl)-2-(trifluoromethyl)-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one

(2S)-2-methyl-8-morpholin-4-yl-1-(2-propan-2-yloxyethyl)-2-(trifluoromethyl)-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one (PubChem CID 57406940) has the molecular formula C18H27F3N4O3 and a molecular weight of 404.43 g/mol. Its IUPAC name is (2S)-2-methyl-8-morpholin-4-yl-1-(2-propan-2-yloxyethyl)-2-(trifluoromethyl)-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one.

Molecular Properties

Compound Name(2S)-2-methyl-8-morpholin-4-yl-1-(2-propan-2-yloxyethyl)-2-(trifluoromethyl)-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one
PubChem CID57406940
Molecular FormulaC18H27F3N4O3
Molecular Weight404.43 g/mol
Exact Mass404.20
IUPAC Name(2S)-2-methyl-8-morpholin-4-yl-1-(2-propan-2-yloxyethyl)-2-(trifluoromethyl)-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one
SMILESCC(C)OCCN1c2nc(N3CCOCC3)cc(=O)n2CC[C@@]1(C)C(F)(F)F
InChIInChI=1S/C18H27F3N4O3/c1-13(2)28-11-8-25-16-22-14(23-6-9-27-10-7-23)12-15(26)24(16)5-4-17(25,3)18(19,20)21/h12-13H,4-11H2,1-3H3/t17-/m0/s1
InChIKeyFAFBHLZVXDNLKV-KRWDZBQOSA-N
XLogP2.04
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-8-morpholin-4-yl-1-(2-propan-2-yloxyethyl)-2-(trifluoromethyl)-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one?
The IUPAC name of (2S)-2-methyl-8-morpholin-4-yl-1-(2-propan-2-yloxyethyl)-2-(trifluoromethyl)-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one (CID 57406940) is (2S)-2-methyl-8-morpholin-4-yl-1-(2-propan-2-yloxyethyl)-2-(trifluoromethyl)-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one.
What is the SMILES notation for (2S)-2-methyl-8-morpholin-4-yl-1-(2-propan-2-yloxyethyl)-2-(trifluoromethyl)-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one?
The canonical SMILES for (2S)-2-methyl-8-morpholin-4-yl-1-(2-propan-2-yloxyethyl)-2-(trifluoromethyl)-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one is CC(C)OCCN1c2nc(N3CCOCC3)cc(=O)n2CC[C@@]1(C)C(F)(F)F.
What is the InChIKey of (2S)-2-methyl-8-morpholin-4-yl-1-(2-propan-2-yloxyethyl)-2-(trifluoromethyl)-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one?
The InChIKey is FAFBHLZVXDNLKV-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H27F3N4O3/c1-13(2)28-11-8-25-16-22-14(23-6-9-27-10-7-23)12-15(26)24(16)5-4-17(25,3)18(19,20)21/h12-13H,4-11H2,1-3H3/t17-/m0/s1.
What are the key properties of (2S)-2-methyl-8-morpholin-4-yl-1-(2-propan-2-yloxyethyl)-2-(trifluoromethyl)-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one?
(2S)-2-methyl-8-morpholin-4-yl-1-(2-propan-2-yloxyethyl)-2-(trifluoromethyl)-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one has a molecular weight of 404.43 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-8-morpholin-4-yl-1-(2-propan-2-yloxyethyl)-2-(trifluoromethyl)-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one is sourced from PubChem (CID 57406940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).