(2R)-8-[[4-(3,4-difluorophenoxy)-3,5-difluorophenyl]methoxy]-1,2-dimethyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one

C22H19F4N3O3 — CID 90304105

IUPAC(2R)-8-[[4-(3,4-difluorophenoxy)-3,5-difluorophenyl]methoxy]-1,2-dimethyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one
SMILESC[C@@H]1CCn2c(cc(OCc3cc(F)c(Oc4ccc(F)c(F)c4)c(F)c3)nc2=O)N1C
InChIInChI=1S/C22H19F4N3O3/c1-12-5-6-29-20(28(12)2)10-19(27-22(29)30)31-11-13-7-17(25)21(18(26)8-13)32-14-3-4-15(23)16(24)9-14/h3-4,7-10,12H,5-6,11H2,1-2H3/t12-/m1/s1
InChIKeyYEPUQQZUDSHKEV-GFCCVEGCSA-N
MW449.40 g/mol
LogP4.40
Rot. Bonds5

About (2R)-8-[[4-(3,4-difluorophenoxy)-3,5-difluorophenyl]methoxy]-1,2-dimethyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one

(2R)-8-[[4-(3,4-difluorophenoxy)-3,5-difluorophenyl]methoxy]-1,2-dimethyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one (PubChem CID 90304105) has the molecular formula C22H19F4N3O3 and a molecular weight of 449.40 g/mol. Its IUPAC name is (2R)-8-[[4-(3,4-difluorophenoxy)-3,5-difluorophenyl]methoxy]-1,2-dimethyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one.

Molecular Properties

Compound Name(2R)-8-[[4-(3,4-difluorophenoxy)-3,5-difluorophenyl]methoxy]-1,2-dimethyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one
PubChem CID90304105
Molecular FormulaC22H19F4N3O3
Molecular Weight449.40 g/mol
Exact Mass449.14
IUPAC Name(2R)-8-[[4-(3,4-difluorophenoxy)-3,5-difluorophenyl]methoxy]-1,2-dimethyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one
SMILESC[C@@H]1CCn2c(cc(OCc3cc(F)c(Oc4ccc(F)c(F)c4)c(F)c3)nc2=O)N1C
InChIInChI=1S/C22H19F4N3O3/c1-12-5-6-29-20(28(12)2)10-19(27-22(29)30)31-11-13-7-17(25)21(18(26)8-13)32-14-3-4-15(23)16(24)9-14/h3-4,7-10,12H,5-6,11H2,1-2H3/t12-/m1/s1
InChIKeyYEPUQQZUDSHKEV-GFCCVEGCSA-N
XLogP4.40
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.40
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R)-8-[[4-(3,4-difluorophenoxy)-3,5-difluorophenyl]methoxy]-1,2-dimethyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one with MolForge

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Related Compounds

(2R)-8-[[4-(3-chloro-4-fluorophenoxy)-3,5-difluorophenyl]methoxy]-1,2-dimethyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one
CID 77105028
(2S)-8-[[3,5-difluoro-4-[2-(trifluoromethyl)pyrimidin-5-yl]oxyphenyl]methoxy]-1,2-dimethyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one
CID 77105227
(2S)-7-[(3,4-difluorophenyl)methoxy]-1,2-dimethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one
CID 86728343
7-[[3,5-difluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]methoxy]-1-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one
CID 145003519
(2S)-8-[dideuterio-(2,4,5-trifluorophenyl)methoxy]-1,2-dimethyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one;sulfane
CID 157349226
8-[dideuterio-(3,5-difluorophenyl)methoxy]-1,2-dimethyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one
CID 90304062
3-[(1,2-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-8-yl)oxymethyl]benzonitrile
CID 90304080
3-[[(2S)-1,2-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-8-yl]oxymethyl]benzonitrile
CID 77107603
11-[[3,5-difluoro-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methoxy]-2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-dien-9-one
CID 118686206
3-fluoro-5-[(1-methyl-5-oxo-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)oxymethyl]-2-[(6-methyl-3-pyridinyl)oxy]benzonitrile
CID 118685759
(2S)-7-[[3,5-difluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methoxy]-2-methyl-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one
CID 118685737
4-[[4-[(6-chloro-3-pyridinyl)oxy]-3,5-difluorophenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one
CID 121448383

Frequently Asked Questions

What is the IUPAC name of (2R)-8-[[4-(3,4-difluorophenoxy)-3,5-difluorophenyl]methoxy]-1,2-dimethyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one?
The IUPAC name of (2R)-8-[[4-(3,4-difluorophenoxy)-3,5-difluorophenyl]methoxy]-1,2-dimethyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one (CID 90304105) is (2R)-8-[[4-(3,4-difluorophenoxy)-3,5-difluorophenyl]methoxy]-1,2-dimethyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one.
What is the SMILES notation for (2R)-8-[[4-(3,4-difluorophenoxy)-3,5-difluorophenyl]methoxy]-1,2-dimethyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one?
The canonical SMILES for (2R)-8-[[4-(3,4-difluorophenoxy)-3,5-difluorophenyl]methoxy]-1,2-dimethyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one is C[C@@H]1CCn2c(cc(OCc3cc(F)c(Oc4ccc(F)c(F)c4)c(F)c3)nc2=O)N1C.
What is the InChIKey of (2R)-8-[[4-(3,4-difluorophenoxy)-3,5-difluorophenyl]methoxy]-1,2-dimethyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one?
The InChIKey is YEPUQQZUDSHKEV-GFCCVEGCSA-N. The full InChI is InChI=1S/C22H19F4N3O3/c1-12-5-6-29-20(28(12)2)10-19(27-22(29)30)31-11-13-7-17(25)21(18(26)8-13)32-14-3-4-15(23)16(24)9-14/h3-4,7-10,12H,5-6,11H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-8-[[4-(3,4-difluorophenoxy)-3,5-difluorophenyl]methoxy]-1,2-dimethyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one?
(2R)-8-[[4-(3,4-difluorophenoxy)-3,5-difluorophenyl]methoxy]-1,2-dimethyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one has a molecular weight of 449.40 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-8-[[4-(3,4-difluorophenoxy)-3,5-difluorophenyl]methoxy]-1,2-dimethyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one is sourced from PubChem (CID 90304105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).