4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-1H-imidazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine

C25H26F3N7O — CID 59137504

IUPAC4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-1H-imidazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
SMILESCOc1cc(-c2nc(C(C)(C)C)[nH]c2-c2ccnc(NCc3ccc(C(F)(F)F)cc3)n2)cnc1N
InChIInChI=1S/C25H26F3N7O/c1-24(2,3)22-34-19(15-11-18(36-4)21(29)31-13-15)20(35-22)17-9-10-30-23(33-17)32-12-14-5-7-16(8-6-14)25(26,27)28/h5-11,13H,12H2,1-4H3,(H2,29,31)(H,34,35)(H,30,32,33)
InChIKeyRSCDGIQIEHBLGR-UHFFFAOYSA-N
MW497.53 g/mol
LogP5.45
Rot. Bonds6

About 4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-1H-imidazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine

4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-1H-imidazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine (PubChem CID 59137504) has the molecular formula C25H26F3N7O and a molecular weight of 497.53 g/mol. Its IUPAC name is 4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-1H-imidazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-1H-imidazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
PubChem CID59137504
Molecular FormulaC25H26F3N7O
Molecular Weight497.53 g/mol
Exact Mass497.22
IUPAC Name4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-1H-imidazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
SMILESCOc1cc(-c2nc(C(C)(C)C)[nH]c2-c2ccnc(NCc3ccc(C(F)(F)F)cc3)n2)cnc1N
InChIInChI=1S/C25H26F3N7O/c1-24(2,3)22-34-19(15-11-18(36-4)21(29)31-13-15)20(35-22)17-9-10-30-23(33-17)32-12-14-5-7-16(8-6-14)25(26,27)28/h5-11,13H,12H2,1-4H3,(H2,29,31)(H,34,35)(H,30,32,33)
InChIKeyRSCDGIQIEHBLGR-UHFFFAOYSA-N
XLogP5.45
TPSA114.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.53
LogP ≤ 55.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-1H-imidazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine with MolForge

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Related Compounds

1-[1-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-3-methylurea
CID 66591456
(2S)-N-[(2S)-1-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxypropanamide
CID 59137334
(2R)-N-[(2S)-2-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propyl]-2-methoxypropanamide
CID 59137408
5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-3-methoxypyridin-2-amine
CID 59137482
3-methoxy-5-[5-pyridin-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]pyridin-2-amine
CID 66591071
N-[2-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-phenyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]acetamide
CID 59137362
N-[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-phenyl-1H-imidazol-5-yl]pyrimidin-2-yl]-N'-butan-2-ylsulfanylethane-1,2-diamine
CID 143864617
N-[(4-methoxyphenyl)methyl]-4-[4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]pyrimidin-2-amine
CID 57204435
methyl N-[(2S)-1-[[4-[2-tert-butyl-4-[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]carbamate
CID 59137374
4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-amine;butane;thiohydroxylamine
CID 143864629
methyl N-[(2S)-1-[[4-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-2-cyclopropyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]carbamate
CID 59137555
1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-tert-butyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-ylcarbamic acid
CID 66590928

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-1H-imidazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine?
The IUPAC name of 4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-1H-imidazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine (CID 59137504) is 4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-1H-imidazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-1H-imidazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine?
The canonical SMILES for 4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-1H-imidazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine is COc1cc(-c2nc(C(C)(C)C)[nH]c2-c2ccnc(NCc3ccc(C(F)(F)F)cc3)n2)cnc1N.
What is the InChIKey of 4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-1H-imidazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine?
The InChIKey is RSCDGIQIEHBLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N7O/c1-24(2,3)22-34-19(15-11-18(36-4)21(29)31-13-15)20(35-22)17-9-10-30-23(33-17)32-12-14-5-7-16(8-6-14)25(26,27)28/h5-11,13H,12H2,1-4H3,(H2,29,31)(H,34,35)(H,30,32,33).
What are the key properties of 4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-1H-imidazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine?
4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-1H-imidazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine has a molecular weight of 497.53 g/mol, XLogP of 5.45, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-1H-imidazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 59137504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).