2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5-(2,2,2-trifluoroethyl)-6,7-dihydropteridin-6-ol

C28H26F6N8O2 — CID 165401011

IUPAC2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5-(2,2,2-trifluoroethyl)-6,7-dihydropteridin-6-ol
SMILESCOc1ncnc(C2CC2)c1-c1ncc2c(n1)N(Cc1ccc(-c3nc(C(F)(F)F)cn3C)cc1)CC(O)N2CC(F)(F)F
InChIInChI=1S/C28H26F6N8O2/c1-40-11-19(28(32,33)34)38-24(40)17-5-3-15(4-6-17)10-41-12-20(43)42(13-27(29,30)31)18-9-35-23(39-25(18)41)21-22(16-7-8-16)36-14-37-26(21)44-2/h3-6,9,11,14,16,20,43H,7-8,10,12-13H2,1-2H3
InChIKeyVASFQEAHBPQIPJ-UHFFFAOYSA-N
MW620.56 g/mol
LogP4.95
Rot. Bonds7

About 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5-(2,2,2-trifluoroethyl)-6,7-dihydropteridin-6-ol

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5-(2,2,2-trifluoroethyl)-6,7-dihydropteridin-6-ol (PubChem CID 165401011) has the molecular formula C28H26F6N8O2 and a molecular weight of 620.56 g/mol. Its IUPAC name is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5-(2,2,2-trifluoroethyl)-6,7-dihydropteridin-6-ol.

Molecular Properties

Compound Name2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5-(2,2,2-trifluoroethyl)-6,7-dihydropteridin-6-ol
PubChem CID165401011
Molecular FormulaC28H26F6N8O2
Molecular Weight620.56 g/mol
Exact Mass620.21
IUPAC Name2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5-(2,2,2-trifluoroethyl)-6,7-dihydropteridin-6-ol
SMILESCOc1ncnc(C2CC2)c1-c1ncc2c(n1)N(Cc1ccc(-c3nc(C(F)(F)F)cn3C)cc1)CC(O)N2CC(F)(F)F
InChIInChI=1S/C28H26F6N8O2/c1-40-11-19(28(32,33)34)38-24(40)17-5-3-15(4-6-17)10-41-12-20(43)42(13-27(29,30)31)18-9-35-23(39-25(18)41)21-22(16-7-8-16)36-14-37-26(21)44-2/h3-6,9,11,14,16,20,43H,7-8,10,12-13H2,1-2H3
InChIKeyVASFQEAHBPQIPJ-UHFFFAOYSA-N
XLogP4.95
TPSA105.32 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500620.56
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5-(2,2,2-trifluoroethyl)-6,7-dihydropteridin-6-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5-(2,2,2-trifluoroethyl)-6,7-dihydropteridin-6-ol?
The IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5-(2,2,2-trifluoroethyl)-6,7-dihydropteridin-6-ol (CID 165401011) is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5-(2,2,2-trifluoroethyl)-6,7-dihydropteridin-6-ol.
What is the SMILES notation for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5-(2,2,2-trifluoroethyl)-6,7-dihydropteridin-6-ol?
The canonical SMILES for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5-(2,2,2-trifluoroethyl)-6,7-dihydropteridin-6-ol is COc1ncnc(C2CC2)c1-c1ncc2c(n1)N(Cc1ccc(-c3nc(C(F)(F)F)cn3C)cc1)CC(O)N2CC(F)(F)F.
What is the InChIKey of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5-(2,2,2-trifluoroethyl)-6,7-dihydropteridin-6-ol?
The InChIKey is VASFQEAHBPQIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F6N8O2/c1-40-11-19(28(32,33)34)38-24(40)17-5-3-15(4-6-17)10-41-12-20(43)42(13-27(29,30)31)18-9-35-23(39-25(18)41)21-22(16-7-8-16)36-14-37-26(21)44-2/h3-6,9,11,14,16,20,43H,7-8,10,12-13H2,1-2H3.
What are the key properties of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5-(2,2,2-trifluoroethyl)-6,7-dihydropteridin-6-ol?
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5-(2,2,2-trifluoroethyl)-6,7-dihydropteridin-6-ol has a molecular weight of 620.56 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5-(2,2,2-trifluoroethyl)-6,7-dihydropteridin-6-ol is sourced from PubChem (CID 165401011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).