9-(2-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]purin-6-amine

C18H11ClF3N5 — CID 11246262

IUPAC9-(2-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]purin-6-amine
SMILESFC(F)(F)c1ccc(Nc2ncnc3c2ncn3-c2ccccc2Cl)cc1
InChIInChI=1S/C18H11ClF3N5/c19-13-3-1-2-4-14(13)27-10-25-15-16(23-9-24-17(15)27)26-12-7-5-11(6-8-12)18(20,21)22/h1-10H,(H,23,24,26)
InChIKeyAFULQCVHMKOOOE-UHFFFAOYSA-N
MW389.77 g/mol
LogP5.23
Rot. Bonds3

About 9-(2-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]purin-6-amine

9-(2-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]purin-6-amine (PubChem CID 11246262) has the molecular formula C18H11ClF3N5 and a molecular weight of 389.77 g/mol. Its IUPAC name is 9-(2-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]purin-6-amine.

Molecular Properties

Compound Name9-(2-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]purin-6-amine
PubChem CID11246262
Molecular FormulaC18H11ClF3N5
Molecular Weight389.77 g/mol
Exact Mass389.07
IUPAC Name9-(2-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]purin-6-amine
SMILESFC(F)(F)c1ccc(Nc2ncnc3c2ncn3-c2ccccc2Cl)cc1
InChIInChI=1S/C18H11ClF3N5/c19-13-3-1-2-4-14(13)27-10-25-15-16(23-9-24-17(15)27)26-12-7-5-11(6-8-12)18(20,21)22/h1-10H,(H,23,24,26)
InChIKeyAFULQCVHMKOOOE-UHFFFAOYSA-N
XLogP5.23
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.77
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-(4-fluorophenyl)-N-phenylpurin-6-amine
CID 102501130
1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 58949655
2-N-(2,6-dichlorophenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 24882956
3-(2-chlorophenyl)-N-[4-(trifluoromethylsulfonyl)phenyl]triazolo[4,5-d]pyrimidin-7-amine
CID 58949662
6,8-dichloro-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 86093336
6-chloro-5-ethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 63735246
6-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-7H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 153247661
8-(2-chloro-6-fluorophenyl)-9-methyl-N-phenylpurin-6-amine
CID 67383970
6-N-(2-phenoxyethyl)-9-phenyl-2-N-[4-(trifluoromethyl)phenyl]purine-2,6-diamine
CID 117088420
8-N-[2-(trifluoromethyl)phenyl]-6-N-[4-(trifluoromethyl)phenyl]-7H-purine-6,8-diamine
CID 42642441
4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19144821
4-N-(5-chloro-2-methylphenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22547329

Frequently Asked Questions

What is the IUPAC name of 9-(2-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]purin-6-amine?
The IUPAC name of 9-(2-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]purin-6-amine (CID 11246262) is 9-(2-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]purin-6-amine.
What is the SMILES notation for 9-(2-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]purin-6-amine?
The canonical SMILES for 9-(2-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]purin-6-amine is FC(F)(F)c1ccc(Nc2ncnc3c2ncn3-c2ccccc2Cl)cc1.
What is the InChIKey of 9-(2-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]purin-6-amine?
The InChIKey is AFULQCVHMKOOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF3N5/c19-13-3-1-2-4-14(13)27-10-25-15-16(23-9-24-17(15)27)26-12-7-5-11(6-8-12)18(20,21)22/h1-10H,(H,23,24,26).
What are the key properties of 9-(2-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]purin-6-amine?
9-(2-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]purin-6-amine has a molecular weight of 389.77 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]purin-6-amine is sourced from PubChem (CID 11246262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).