9-[[3-(dimethylamino)phenyl]methyl]-N,N-dimethyl-2-(trifluoromethyl)purin-6-amine

C17H19F3N6 — CID 5271754

IUPAC9-[[3-(dimethylamino)phenyl]methyl]-N,N-dimethyl-2-(trifluoromethyl)purin-6-amine
SMILESCN(C)c1cccc(Cn2cnc3c(N(C)C)nc(C(F)(F)F)nc32)c1
InChIInChI=1S/C17H19F3N6/c1-24(2)12-7-5-6-11(8-12)9-26-10-21-13-14(25(3)4)22-16(17(18,19)20)23-15(13)26/h5-8,10H,9H2,1-4H3
InChIKeyKCXKPJOGSCPNQN-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.03
Rot. Bonds4

About 9-[[3-(dimethylamino)phenyl]methyl]-N,N-dimethyl-2-(trifluoromethyl)purin-6-amine

9-[[3-(dimethylamino)phenyl]methyl]-N,N-dimethyl-2-(trifluoromethyl)purin-6-amine (PubChem CID 5271754) has the molecular formula C17H19F3N6 and a molecular weight of 364.38 g/mol. Its IUPAC name is 9-[[3-(dimethylamino)phenyl]methyl]-N,N-dimethyl-2-(trifluoromethyl)purin-6-amine.

Molecular Properties

Compound Name9-[[3-(dimethylamino)phenyl]methyl]-N,N-dimethyl-2-(trifluoromethyl)purin-6-amine
PubChem CID5271754
Molecular FormulaC17H19F3N6
Molecular Weight364.38 g/mol
Exact Mass364.16
IUPAC Name9-[[3-(dimethylamino)phenyl]methyl]-N,N-dimethyl-2-(trifluoromethyl)purin-6-amine
SMILESCN(C)c1cccc(Cn2cnc3c(N(C)C)nc(C(F)(F)F)nc32)c1
InChIInChI=1S/C17H19F3N6/c1-24(2)12-7-5-6-11(8-12)9-26-10-21-13-14(25(3)4)22-16(17(18,19)20)23-15(13)26/h5-8,10H,9H2,1-4H3
InChIKeyKCXKPJOGSCPNQN-UHFFFAOYSA-N
XLogP3.03
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-[[3-(dimethylamino)phenyl]methyl]-N,N-dimethyl-2-(trifluoromethyl)purin-6-amine?
The IUPAC name of 9-[[3-(dimethylamino)phenyl]methyl]-N,N-dimethyl-2-(trifluoromethyl)purin-6-amine (CID 5271754) is 9-[[3-(dimethylamino)phenyl]methyl]-N,N-dimethyl-2-(trifluoromethyl)purin-6-amine.
What is the SMILES notation for 9-[[3-(dimethylamino)phenyl]methyl]-N,N-dimethyl-2-(trifluoromethyl)purin-6-amine?
The canonical SMILES for 9-[[3-(dimethylamino)phenyl]methyl]-N,N-dimethyl-2-(trifluoromethyl)purin-6-amine is CN(C)c1cccc(Cn2cnc3c(N(C)C)nc(C(F)(F)F)nc32)c1.
What is the InChIKey of 9-[[3-(dimethylamino)phenyl]methyl]-N,N-dimethyl-2-(trifluoromethyl)purin-6-amine?
The InChIKey is KCXKPJOGSCPNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N6/c1-24(2)12-7-5-6-11(8-12)9-26-10-21-13-14(25(3)4)22-16(17(18,19)20)23-15(13)26/h5-8,10H,9H2,1-4H3.
What are the key properties of 9-[[3-(dimethylamino)phenyl]methyl]-N,N-dimethyl-2-(trifluoromethyl)purin-6-amine?
9-[[3-(dimethylamino)phenyl]methyl]-N,N-dimethyl-2-(trifluoromethyl)purin-6-amine has a molecular weight of 364.38 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[3-(dimethylamino)phenyl]methyl]-N,N-dimethyl-2-(trifluoromethyl)purin-6-amine is sourced from PubChem (CID 5271754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).