4,5-dimethoxy-2-pyridin-2-yl-6-[3-(trifluoromethyl)phenoxy]pyrimidine;5-hydroxy-4-(3-methylphenoxy)-2-pyridin-2-yl-1H-pyrimidin-6-one;methane;4-methoxy-6-(3-methylphenoxy)-2-pyridin-2-ylpyrimidin-5-ol;5-methoxy-4-(3-methylphenoxy)-2-pyridin-2-yl-1H-pyrimidin-6-one

C69H61F3N12O12 — CID 160625880

IUPAC4,5-dimethoxy-2-pyridin-2-yl-6-[3-(trifluoromethyl)phenoxy]pyrimidine;5-hydroxy-4-(3-methylphenoxy)-2-pyridin-2-yl-1H-pyrimidin-6-one;methane;4-methoxy-6-(3-methylphenoxy)-2-pyridin-2-ylpyrimidin-5-ol;5-methoxy-4-(3-methylphenoxy)-2-pyridin-2-yl-1H-pyrimidin-6-one
SMILESC.COc1c(Oc2cccc(C)c2)nc(-c2ccccn2)[nH]c1=O.COc1nc(-c2ccccn2)nc(Oc2cccc(C(F)(F)F)c2)c1OC.COc1nc(-c2ccccn2)nc(Oc2cccc(C)c2)c1O.Cc1cccc(Oc2nc(-c3ccccn3)[nH]c(=O)c2O)c1
InChIInChI=1S/C18H14F3N3O3.2C17H15N3O3.C16H13N3O3.CH4/c1-25-14-16(26-2)23-15(13-8-3-4-9-22-13)24-17(14)27-12-7-5-6-11(10-12)18(19,20)21;1-11-6-5-7-12(10-11)23-17-14(22-2)16(21)19-15(20-17)13-8-3-4-9-18-13;1-11-6-5-7-12(10-11)23-17-14(21)16(22-2)19-15(20-17)13-8-3-4-9-18-13;1-10-5-4-6-11(9-10)22-16-13(20)15(21)18-14(19-16)12-7-2-3-8-17-12;/h3-10H,1-2H3;3-10H,1-2H3,(H,19,20,21);3-10,21H,1-2H3;2-9,20H,1H3,(H,18,19,21);1H4
InChIKeyRHHFSYOHHNQOFC-UHFFFAOYSA-N
MW1307.31 g/mol
LogP13.94
Rot. Bonds16

About 4,5-dimethoxy-2-pyridin-2-yl-6-[3-(trifluoromethyl)phenoxy]pyrimidine;5-hydroxy-4-(3-methylphenoxy)-2-pyridin-2-yl-1H-pyrimidin-6-one;methane;4-methoxy-6-(3-methylphenoxy)-2-pyridin-2-ylpyrimidin-5-ol;5-methoxy-4-(3-methylphenoxy)-2-pyridin-2-yl-1H-pyrimidin-6-one

4,5-dimethoxy-2-pyridin-2-yl-6-[3-(trifluoromethyl)phenoxy]pyrimidine;5-hydroxy-4-(3-methylphenoxy)-2-pyridin-2-yl-1H-pyrimidin-6-one;methane;4-methoxy-6-(3-methylphenoxy)-2-pyridin-2-ylpyrimidin-5-ol;5-methoxy-4-(3-methylphenoxy)-2-pyridin-2-yl-1H-pyrimidin-6-one (PubChem CID 160625880) has the molecular formula C69H61F3N12O12 and a molecular weight of 1307.31 g/mol. Its IUPAC name is 4,5-dimethoxy-2-pyridin-2-yl-6-[3-(trifluoromethyl)phenoxy]pyrimidine;5-hydroxy-4-(3-methylphenoxy)-2-pyridin-2-yl-1H-pyrimidin-6-one;methane;4-methoxy-6-(3-methylphenoxy)-2-pyridin-2-ylpyrimidin-5-ol;5-methoxy-4-(3-methylphenoxy)-2-pyridin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4,5-dimethoxy-2-pyridin-2-yl-6-[3-(trifluoromethyl)phenoxy]pyrimidine;5-hydroxy-4-(3-methylphenoxy)-2-pyridin-2-yl-1H-pyrimidin-6-one;methane;4-methoxy-6-(3-methylphenoxy)-2-pyridin-2-ylpyrimidin-5-ol;5-methoxy-4-(3-methylphenoxy)-2-pyridin-2-yl-1H-pyrimidin-6-one
PubChem CID160625880
Molecular FormulaC69H61F3N12O12
Molecular Weight1307.31 g/mol
Exact Mass1306.45
IUPAC Name4,5-dimethoxy-2-pyridin-2-yl-6-[3-(trifluoromethyl)phenoxy]pyrimidine;5-hydroxy-4-(3-methylphenoxy)-2-pyridin-2-yl-1H-pyrimidin-6-one;methane;4-methoxy-6-(3-methylphenoxy)-2-pyridin-2-ylpyrimidin-5-ol;5-methoxy-4-(3-methylphenoxy)-2-pyridin-2-yl-1H-pyrimidin-6-one
SMILESC.COc1c(Oc2cccc(C)c2)nc(-c2ccccn2)[nH]c1=O.COc1nc(-c2ccccn2)nc(Oc2cccc(C(F)(F)F)c2)c1OC.COc1nc(-c2ccccn2)nc(Oc2cccc(C)c2)c1O.Cc1cccc(Oc2nc(-c3ccccn3)[nH]c(=O)c2O)c1
InChIInChI=1S/C18H14F3N3O3.2C17H15N3O3.C16H13N3O3.CH4/c1-25-14-16(26-2)23-15(13-8-3-4-9-22-13)24-17(14)27-12-7-5-6-11(10-12)18(19,20)21;1-11-6-5-7-12(10-11)23-17-14(22-2)16(21)19-15(20-17)13-8-3-4-9-18-13;1-11-6-5-7-12(10-11)23-17-14(21)16(22-2)19-15(20-17)13-8-3-4-9-18-13;1-10-5-4-6-11(9-10)22-16-13(20)15(21)18-14(19-16)12-7-2-3-8-17-12;/h3-10H,1-2H3;3-10H,1-2H3,(H,19,20,21);3-10,21H,1-2H3;2-9,20H,1H3,(H,18,19,21);1H4
InChIKeyRHHFSYOHHNQOFC-UHFFFAOYSA-N
XLogP13.94
TPSA308.92 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds16
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001307.31
LogP ≤ 513.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Analyze 4,5-dimethoxy-2-pyridin-2-yl-6-[3-(trifluoromethyl)phenoxy]pyrimidine;5-hydroxy-4-(3-methylphenoxy)-2-pyridin-2-yl-1H-pyrimidin-6-one;methane;4-methoxy-6-(3-methylphenoxy)-2-pyridin-2-ylpyrimidin-5-ol;5-methoxy-4-(3-methylphenoxy)-2-pyridin-2-yl-1H-pyrimidin-6-one with MolForge

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Related Compounds

5-methoxy-2-pyridin-2-yl-4-[3-(trifluoromethyl)phenoxy]pyrimidine
CID 3792008
5-methoxy-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one
CID 103241247
5-hydroxy-4-[2-(4-methoxyphenyl)acetyl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 157439446
4-methyl-5-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 135545032
2-methyl-5-(3-methylphenoxy)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 137254828
5-hydroxy-4-(2-phenylmethoxyacetyl)-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 158186431
3-methoxy-2-[2-methyl-4-[3-(trifluoromethyl)phenoxy]pyrimidin-5-yl]but-2-enoic acid
CID 139654305
1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethanone
CID 170916930
N-(4-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 15614422
3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxylate
CID 6930221
5-methoxy-3-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazine
CID 22118823
6-methyl-4-[3-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine
CID 20963306

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-pyridin-2-yl-6-[3-(trifluoromethyl)phenoxy]pyrimidine;5-hydroxy-4-(3-methylphenoxy)-2-pyridin-2-yl-1H-pyrimidin-6-one;methane;4-methoxy-6-(3-methylphenoxy)-2-pyridin-2-ylpyrimidin-5-ol;5-methoxy-4-(3-methylphenoxy)-2-pyridin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4,5-dimethoxy-2-pyridin-2-yl-6-[3-(trifluoromethyl)phenoxy]pyrimidine;5-hydroxy-4-(3-methylphenoxy)-2-pyridin-2-yl-1H-pyrimidin-6-one;methane;4-methoxy-6-(3-methylphenoxy)-2-pyridin-2-ylpyrimidin-5-ol;5-methoxy-4-(3-methylphenoxy)-2-pyridin-2-yl-1H-pyrimidin-6-one (CID 160625880) is 4,5-dimethoxy-2-pyridin-2-yl-6-[3-(trifluoromethyl)phenoxy]pyrimidine;5-hydroxy-4-(3-methylphenoxy)-2-pyridin-2-yl-1H-pyrimidin-6-one;methane;4-methoxy-6-(3-methylphenoxy)-2-pyridin-2-ylpyrimidin-5-ol;5-methoxy-4-(3-methylphenoxy)-2-pyridin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4,5-dimethoxy-2-pyridin-2-yl-6-[3-(trifluoromethyl)phenoxy]pyrimidine;5-hydroxy-4-(3-methylphenoxy)-2-pyridin-2-yl-1H-pyrimidin-6-one;methane;4-methoxy-6-(3-methylphenoxy)-2-pyridin-2-ylpyrimidin-5-ol;5-methoxy-4-(3-methylphenoxy)-2-pyridin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4,5-dimethoxy-2-pyridin-2-yl-6-[3-(trifluoromethyl)phenoxy]pyrimidine;5-hydroxy-4-(3-methylphenoxy)-2-pyridin-2-yl-1H-pyrimidin-6-one;methane;4-methoxy-6-(3-methylphenoxy)-2-pyridin-2-ylpyrimidin-5-ol;5-methoxy-4-(3-methylphenoxy)-2-pyridin-2-yl-1H-pyrimidin-6-one is C.COc1c(Oc2cccc(C)c2)nc(-c2ccccn2)[nH]c1=O.COc1nc(-c2ccccn2)nc(Oc2cccc(C(F)(F)F)c2)c1OC.COc1nc(-c2ccccn2)nc(Oc2cccc(C)c2)c1O.Cc1cccc(Oc2nc(-c3ccccn3)[nH]c(=O)c2O)c1.
What is the InChIKey of 4,5-dimethoxy-2-pyridin-2-yl-6-[3-(trifluoromethyl)phenoxy]pyrimidine;5-hydroxy-4-(3-methylphenoxy)-2-pyridin-2-yl-1H-pyrimidin-6-one;methane;4-methoxy-6-(3-methylphenoxy)-2-pyridin-2-ylpyrimidin-5-ol;5-methoxy-4-(3-methylphenoxy)-2-pyridin-2-yl-1H-pyrimidin-6-one?
The InChIKey is RHHFSYOHHNQOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O3.2C17H15N3O3.C16H13N3O3.CH4/c1-25-14-16(26-2)23-15(13-8-3-4-9-22-13)24-17(14)27-12-7-5-6-11(10-12)18(19,20)21;1-11-6-5-7-12(10-11)23-17-14(22-2)16(21)19-15(20-17)13-8-3-4-9-18-13;1-11-6-5-7-12(10-11)23-17-14(21)16(22-2)19-15(20-17)13-8-3-4-9-18-13;1-10-5-4-6-11(9-10)22-16-13(20)15(21)18-14(19-16)12-7-2-3-8-17-12;/h3-10H,1-2H3;3-10H,1-2H3,(H,19,20,21);3-10,21H,1-2H3;2-9,20H,1H3,(H,18,19,21);1H4.
What are the key properties of 4,5-dimethoxy-2-pyridin-2-yl-6-[3-(trifluoromethyl)phenoxy]pyrimidine;5-hydroxy-4-(3-methylphenoxy)-2-pyridin-2-yl-1H-pyrimidin-6-one;methane;4-methoxy-6-(3-methylphenoxy)-2-pyridin-2-ylpyrimidin-5-ol;5-methoxy-4-(3-methylphenoxy)-2-pyridin-2-yl-1H-pyrimidin-6-one?
4,5-dimethoxy-2-pyridin-2-yl-6-[3-(trifluoromethyl)phenoxy]pyrimidine;5-hydroxy-4-(3-methylphenoxy)-2-pyridin-2-yl-1H-pyrimidin-6-one;methane;4-methoxy-6-(3-methylphenoxy)-2-pyridin-2-ylpyrimidin-5-ol;5-methoxy-4-(3-methylphenoxy)-2-pyridin-2-yl-1H-pyrimidin-6-one has a molecular weight of 1307.31 g/mol, XLogP of 13.94, 16 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-pyridin-2-yl-6-[3-(trifluoromethyl)phenoxy]pyrimidine;5-hydroxy-4-(3-methylphenoxy)-2-pyridin-2-yl-1H-pyrimidin-6-one;methane;4-methoxy-6-(3-methylphenoxy)-2-pyridin-2-ylpyrimidin-5-ol;5-methoxy-4-(3-methylphenoxy)-2-pyridin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 160625880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).