[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(methoxymethyl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol

C28H26F3N7O3 — CID 164881308

IUPAC[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(methoxymethyl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol
SMILESCOCc1[nH]c2cnc(-c3c(OC)ncnc3C3CC3)nc2c1C(O)c1ccc(-c2nc(C(F)(F)F)cn2C)cc1
InChIInChI=1S/C28H26F3N7O3/c1-38-11-19(28(29,30)31)36-26(38)16-8-6-15(7-9-16)24(39)20-18(12-40-2)35-17-10-32-25(37-23(17)20)21-22(14-4-5-14)33-13-34-27(21)41-3/h6-11,13-14,24,35,39H,4-5,12H2,1-3H3
InChIKeyCMDPALDCBIYWEG-UHFFFAOYSA-N
MW565.56 g/mol
LogP4.95
Rot. Bonds8

About [2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(methoxymethyl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol

[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(methoxymethyl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol (PubChem CID 164881308) has the molecular formula C28H26F3N7O3 and a molecular weight of 565.56 g/mol. Its IUPAC name is [2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(methoxymethyl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(methoxymethyl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol
PubChem CID164881308
Molecular FormulaC28H26F3N7O3
Molecular Weight565.56 g/mol
Exact Mass565.20
IUPAC Name[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(methoxymethyl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol
SMILESCOCc1[nH]c2cnc(-c3c(OC)ncnc3C3CC3)nc2c1C(O)c1ccc(-c2nc(C(F)(F)F)cn2C)cc1
InChIInChI=1S/C28H26F3N7O3/c1-38-11-19(28(29,30)31)36-26(38)16-8-6-15(7-9-16)24(39)20-18(12-40-2)35-17-10-32-25(37-23(17)20)21-22(14-4-5-14)33-13-34-27(21)41-3/h6-11,13-14,24,35,39H,4-5,12H2,1-3H3
InChIKeyCMDPALDCBIYWEG-UHFFFAOYSA-N
XLogP4.95
TPSA123.86 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.56
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(methoxymethyl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol with MolForge

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Related Compounds

[2-(4,6-dimethoxypyrimidin-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol
CID 164881027
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methoxy-4-[(1S)-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethoxy]pyrimidine
CID 172586088
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-(difluoromethoxy)-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine
CID 172586423
methane;methyl 2-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methylpyrimidin-4-yl]-2-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]acetate
CID 177005027
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-(2,2-difluoroethyl)-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine
CID 172586509
4-cyclopropyl-6-methoxy-5-[4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidin-2-yl]pyrimidine
CID 172585633
2-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine
CID 164881325
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrimidine
CID 172585643
[2-[4-(1-fluorocyclopropyl)-6-methoxypyrimidin-5-yl]-5H-pyrrolo[3,2-d]pyrimidin-7-yl]-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol
CID 164881140
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-(oxolan-3-yl)pyrimidine
CID 172586759
2-(4,6-dicyclopropylpyrimidin-5-yl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine
CID 164881407
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-(4-methylphenyl)sulfonyl-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrrolo[3,2-d]pyrimidine
CID 164881268

Frequently Asked Questions

What is the IUPAC name of [2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(methoxymethyl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol?
The IUPAC name of [2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(methoxymethyl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol (CID 164881308) is [2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(methoxymethyl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol.
What is the SMILES notation for [2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(methoxymethyl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol?
The canonical SMILES for [2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(methoxymethyl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol is COCc1[nH]c2cnc(-c3c(OC)ncnc3C3CC3)nc2c1C(O)c1ccc(-c2nc(C(F)(F)F)cn2C)cc1.
What is the InChIKey of [2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(methoxymethyl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol?
The InChIKey is CMDPALDCBIYWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F3N7O3/c1-38-11-19(28(29,30)31)36-26(38)16-8-6-15(7-9-16)24(39)20-18(12-40-2)35-17-10-32-25(37-23(17)20)21-22(14-4-5-14)33-13-34-27(21)41-3/h6-11,13-14,24,35,39H,4-5,12H2,1-3H3.
What are the key properties of [2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(methoxymethyl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol?
[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(methoxymethyl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol has a molecular weight of 565.56 g/mol, XLogP of 4.95, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(methoxymethyl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol is sourced from PubChem (CID 164881308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).