2-methyl-6-[4-[(1R)-1-methyl-5-(trifluoromethyl)-3H-2-benzofuran-1-yl]pyrazol-1-yl]-1,4-dihydropyrimidin-4-ol

C18H17F3N4O2 — CID 134302362

IUPAC2-methyl-6-[4-[(1R)-1-methyl-5-(trifluoromethyl)-3H-2-benzofuran-1-yl]pyrazol-1-yl]-1,4-dihydropyrimidin-4-ol
SMILESCC1=NC(O)C=C(n2cc([C@]3(C)OCc4cc(C(F)(F)F)ccc43)cn2)N1
InChIInChI=1S/C18H17F3N4O2/c1-10-23-15(6-16(26)24-10)25-8-13(7-22-25)17(2)14-4-3-12(18(19,20)21)5-11(14)9-27-17/h3-8,16,26H,9H2,1-2H3,(H,23,24)/t16?,17-/m0/s1
InChIKeyOKMDLUSPTHKAEH-DJNXLDHESA-N
MW378.35 g/mol
LogP2.83
Rot. Bonds2

About 2-methyl-6-[4-[(1R)-1-methyl-5-(trifluoromethyl)-3H-2-benzofuran-1-yl]pyrazol-1-yl]-1,4-dihydropyrimidin-4-ol

2-methyl-6-[4-[(1R)-1-methyl-5-(trifluoromethyl)-3H-2-benzofuran-1-yl]pyrazol-1-yl]-1,4-dihydropyrimidin-4-ol (PubChem CID 134302362) has the molecular formula C18H17F3N4O2 and a molecular weight of 378.35 g/mol. Its IUPAC name is 2-methyl-6-[4-[(1R)-1-methyl-5-(trifluoromethyl)-3H-2-benzofuran-1-yl]pyrazol-1-yl]-1,4-dihydropyrimidin-4-ol.

Molecular Properties

Compound Name2-methyl-6-[4-[(1R)-1-methyl-5-(trifluoromethyl)-3H-2-benzofuran-1-yl]pyrazol-1-yl]-1,4-dihydropyrimidin-4-ol
PubChem CID134302362
Molecular FormulaC18H17F3N4O2
Molecular Weight378.35 g/mol
Exact Mass378.13
IUPAC Name2-methyl-6-[4-[(1R)-1-methyl-5-(trifluoromethyl)-3H-2-benzofuran-1-yl]pyrazol-1-yl]-1,4-dihydropyrimidin-4-ol
SMILESCC1=NC(O)C=C(n2cc([C@]3(C)OCc4cc(C(F)(F)F)ccc43)cn2)N1
InChIInChI=1S/C18H17F3N4O2/c1-10-23-15(6-16(26)24-10)25-8-13(7-22-25)17(2)14-4-3-12(18(19,20)21)5-11(14)9-27-17/h3-8,16,26H,9H2,1-2H3,(H,23,24)/t16?,17-/m0/s1
InChIKeyOKMDLUSPTHKAEH-DJNXLDHESA-N
XLogP2.83
TPSA71.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methyl-6-[4-[(1R)-1-methyl-5-(trifluoromethyl)-3H-2-benzofuran-1-yl]pyrazol-1-yl]-1,4-dihydropyrimidin-4-ol with MolForge

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Related Compounds

2-methyl-4-[4-[(1R)-1-methyl-5-(trifluoromethyl)-3H-2-benzofuran-1-yl]pyrazol-1-yl]-1H-pyrimidin-6-one
CID 137026692
[1-methyl-6-(trifluoromethyl)-3H-2-benzofuran-1-yl]methanol
CID 90300107
2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]-1,2,3,4-tetrahydroquinoline
CID 81223986
1-methyl-5-(trifluoromethyl)-2,3-dihydroindene-1-carboxylic acid
CID 115045193
2-[3-[1-(4-fluorophenyl)-5-(trifluoromethyl)-3H-2-benzofuran-1-yl]propyl-methylamino]propanoic acid
CID 11166179
1-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 140792739
6-(trifluoromethyl)-1,3-dihydro-2-benzofuran-1-ol
CID 67087230
8-(trifluoromethyl)-1,3,4,5-tetrahydro-2-benzoxepin-4-ol
CID 177205347
3-[2-methyl-4-(trifluoromethyl)phenyl]azetidin-3-ol
CID 103863134
4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-quinoline
CID 105486439
4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-isoquinoline;hydrochloride
CID 71303219
(1R)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
CID 29415647

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-[(1R)-1-methyl-5-(trifluoromethyl)-3H-2-benzofuran-1-yl]pyrazol-1-yl]-1,4-dihydropyrimidin-4-ol?
The IUPAC name of 2-methyl-6-[4-[(1R)-1-methyl-5-(trifluoromethyl)-3H-2-benzofuran-1-yl]pyrazol-1-yl]-1,4-dihydropyrimidin-4-ol (CID 134302362) is 2-methyl-6-[4-[(1R)-1-methyl-5-(trifluoromethyl)-3H-2-benzofuran-1-yl]pyrazol-1-yl]-1,4-dihydropyrimidin-4-ol.
What is the SMILES notation for 2-methyl-6-[4-[(1R)-1-methyl-5-(trifluoromethyl)-3H-2-benzofuran-1-yl]pyrazol-1-yl]-1,4-dihydropyrimidin-4-ol?
The canonical SMILES for 2-methyl-6-[4-[(1R)-1-methyl-5-(trifluoromethyl)-3H-2-benzofuran-1-yl]pyrazol-1-yl]-1,4-dihydropyrimidin-4-ol is CC1=NC(O)C=C(n2cc([C@]3(C)OCc4cc(C(F)(F)F)ccc43)cn2)N1.
What is the InChIKey of 2-methyl-6-[4-[(1R)-1-methyl-5-(trifluoromethyl)-3H-2-benzofuran-1-yl]pyrazol-1-yl]-1,4-dihydropyrimidin-4-ol?
The InChIKey is OKMDLUSPTHKAEH-DJNXLDHESA-N. The full InChI is InChI=1S/C18H17F3N4O2/c1-10-23-15(6-16(26)24-10)25-8-13(7-22-25)17(2)14-4-3-12(18(19,20)21)5-11(14)9-27-17/h3-8,16,26H,9H2,1-2H3,(H,23,24)/t16?,17-/m0/s1.
What are the key properties of 2-methyl-6-[4-[(1R)-1-methyl-5-(trifluoromethyl)-3H-2-benzofuran-1-yl]pyrazol-1-yl]-1,4-dihydropyrimidin-4-ol?
2-methyl-6-[4-[(1R)-1-methyl-5-(trifluoromethyl)-3H-2-benzofuran-1-yl]pyrazol-1-yl]-1,4-dihydropyrimidin-4-ol has a molecular weight of 378.35 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-[(1R)-1-methyl-5-(trifluoromethyl)-3H-2-benzofuran-1-yl]pyrazol-1-yl]-1,4-dihydropyrimidin-4-ol is sourced from PubChem (CID 134302362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).