2-(6-methoxy-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purin-6-amine

C19H15F3N6O — CID 117084170

IUPAC2-(6-methoxy-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purin-6-amine
SMILESCOc1ccc(-c2nc(NCc3cccc(C(F)(F)F)c3)c3[nH]cnc3n2)cn1
InChIInChI=1S/C19H15F3N6O/c1-29-14-6-5-12(9-23-14)16-27-17(15-18(28-16)26-10-25-15)24-8-11-3-2-4-13(7-11)19(20,21)22/h2-7,9-10H,8H2,1H3,(H2,24,25,26,27,28)
InChIKeyDFBWLRTYOZXCKW-UHFFFAOYSA-N
MW400.36 g/mol
LogP4.05
Rot. Bonds5

About 2-(6-methoxy-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purin-6-amine

2-(6-methoxy-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purin-6-amine (PubChem CID 117084170) has the molecular formula C19H15F3N6O and a molecular weight of 400.36 g/mol. Its IUPAC name is 2-(6-methoxy-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purin-6-amine.

Molecular Properties

Compound Name2-(6-methoxy-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purin-6-amine
PubChem CID117084170
Molecular FormulaC19H15F3N6O
Molecular Weight400.36 g/mol
Exact Mass400.13
IUPAC Name2-(6-methoxy-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purin-6-amine
SMILESCOc1ccc(-c2nc(NCc3cccc(C(F)(F)F)c3)c3[nH]cnc3n2)cn1
InChIInChI=1S/C19H15F3N6O/c1-29-14-6-5-12(9-23-14)16-27-17(15-18(28-16)26-10-25-15)24-8-11-3-2-4-13(7-11)19(20,21)22/h2-7,9-10H,8H2,1H3,(H2,24,25,26,27,28)
InChIKeyDFBWLRTYOZXCKW-UHFFFAOYSA-N
XLogP4.05
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[6-[[3-(trifluoromethyl)phenyl]methylamino]-7H-purin-2-yl]phenyl]ethanone
CID 117082638
6-N-(2-methoxyethyl)-2-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-diamine
CID 155517706
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purin-6-amine
CID 117084695
2-(6-methoxy-3-pyridinyl)-N-phenyl-7H-purin-6-amine
CID 117079759
6-N-(2-phenylethyl)-2-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-diamine
CID 155555496
2-N-(1-methylbenzimidazol-2-yl)-6-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-diamine
CID 117086804
2-(6-methoxy-3-pyridinyl)-N-(4-phenoxyphenyl)-7H-purin-6-amine
CID 117084081
6-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 27009221
6,7-dimethoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 170146944
2-(3-aminophenyl)-N-propyl-7H-purin-6-amine
CID 117090188
2-chloro-N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-7H-purin-6-amine
CID 20609840
N-[(3-methylsulfanylphenyl)methyl]-7H-purin-6-amine
CID 39840813

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purin-6-amine?
The IUPAC name of 2-(6-methoxy-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purin-6-amine (CID 117084170) is 2-(6-methoxy-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purin-6-amine.
What is the SMILES notation for 2-(6-methoxy-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purin-6-amine?
The canonical SMILES for 2-(6-methoxy-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purin-6-amine is COc1ccc(-c2nc(NCc3cccc(C(F)(F)F)c3)c3[nH]cnc3n2)cn1.
What is the InChIKey of 2-(6-methoxy-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purin-6-amine?
The InChIKey is DFBWLRTYOZXCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N6O/c1-29-14-6-5-12(9-23-14)16-27-17(15-18(28-16)26-10-25-15)24-8-11-3-2-4-13(7-11)19(20,21)22/h2-7,9-10H,8H2,1H3,(H2,24,25,26,27,28).
What are the key properties of 2-(6-methoxy-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purin-6-amine?
2-(6-methoxy-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purin-6-amine has a molecular weight of 400.36 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purin-6-amine is sourced from PubChem (CID 117084170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).