8-N-[2-(trifluoromethyl)phenyl]-6-N-[4-(trifluoromethyl)phenyl]-7H-purine-6,8-diamine

C19H12F6N6 — CID 42642441

IUPAC8-N-[2-(trifluoromethyl)phenyl]-6-N-[4-(trifluoromethyl)phenyl]-7H-purine-6,8-diamine
SMILESFC(F)(F)c1ccc(Nc2ncnc3nc(Nc4ccccc4C(F)(F)F)[nH]c23)cc1
InChIInChI=1S/C19H12F6N6/c20-18(21,22)10-5-7-11(8-6-10)28-15-14-16(27-9-26-15)31-17(30-14)29-13-4-2-1-3-12(13)19(23,24)25/h1-9H,(H3,26,27,28,29,30,31)
InChIKeyPZLFHAMLRXMKBP-UHFFFAOYSA-N
MW438.34 g/mol
LogP5.88
Rot. Bonds4

About 8-N-[2-(trifluoromethyl)phenyl]-6-N-[4-(trifluoromethyl)phenyl]-7H-purine-6,8-diamine

8-N-[2-(trifluoromethyl)phenyl]-6-N-[4-(trifluoromethyl)phenyl]-7H-purine-6,8-diamine (PubChem CID 42642441) has the molecular formula C19H12F6N6 and a molecular weight of 438.34 g/mol. Its IUPAC name is 8-N-[2-(trifluoromethyl)phenyl]-6-N-[4-(trifluoromethyl)phenyl]-7H-purine-6,8-diamine.

Molecular Properties

Compound Name8-N-[2-(trifluoromethyl)phenyl]-6-N-[4-(trifluoromethyl)phenyl]-7H-purine-6,8-diamine
PubChem CID42642441
Molecular FormulaC19H12F6N6
Molecular Weight438.34 g/mol
Exact Mass438.10
IUPAC Name8-N-[2-(trifluoromethyl)phenyl]-6-N-[4-(trifluoromethyl)phenyl]-7H-purine-6,8-diamine
SMILESFC(F)(F)c1ccc(Nc2ncnc3nc(Nc4ccccc4C(F)(F)F)[nH]c23)cc1
InChIInChI=1S/C19H12F6N6/c20-18(21,22)10-5-7-11(8-6-10)28-15-14-16(27-9-26-15)31-17(30-14)29-13-4-2-1-3-12(13)19(23,24)25/h1-9H,(H3,26,27,28,29,30,31)
InChIKeyPZLFHAMLRXMKBP-UHFFFAOYSA-N
XLogP5.88
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.34
LogP ≤ 55.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-methyl-8-N-phenyl-7H-purine-6,8-diamine
CID 13199460
6-N-phenyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22545606
6-N-(4-ethylphenyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22544237
6-N-(4-phenoxyphenyl)-8-N-pyridin-2-yl-7H-purine-6,8-diamine
CID 117092787
4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19144821
N-[2-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 57096235
2-[4-(trifluoromethyl)phenyl]-8-N-[3-(trifluoromethyl)-2-pyridinyl]-7H-purine-6,8-diamine
CID 87629219
2-N-(2-iodophenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 89302742
8-N-(2,6-dichlorophenyl)-2-(4-methylpiperazin-1-yl)-6-N-[4-(trifluoromethyl)phenyl]-7H-purine-6,8-diamine
CID 42642556
N-(4-tert-butylphenyl)-8-[(2,6-dichlorophenyl)methyl]-7H-purin-6-amine;2,2,2-trifluoroacetic acid
CID 68960389
6-N-(1,3-benzodioxol-5-yl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22542032
9-(2-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]purin-6-amine
CID 11246262

Frequently Asked Questions

What is the IUPAC name of 8-N-[2-(trifluoromethyl)phenyl]-6-N-[4-(trifluoromethyl)phenyl]-7H-purine-6,8-diamine?
The IUPAC name of 8-N-[2-(trifluoromethyl)phenyl]-6-N-[4-(trifluoromethyl)phenyl]-7H-purine-6,8-diamine (CID 42642441) is 8-N-[2-(trifluoromethyl)phenyl]-6-N-[4-(trifluoromethyl)phenyl]-7H-purine-6,8-diamine.
What is the SMILES notation for 8-N-[2-(trifluoromethyl)phenyl]-6-N-[4-(trifluoromethyl)phenyl]-7H-purine-6,8-diamine?
The canonical SMILES for 8-N-[2-(trifluoromethyl)phenyl]-6-N-[4-(trifluoromethyl)phenyl]-7H-purine-6,8-diamine is FC(F)(F)c1ccc(Nc2ncnc3nc(Nc4ccccc4C(F)(F)F)[nH]c23)cc1.
What is the InChIKey of 8-N-[2-(trifluoromethyl)phenyl]-6-N-[4-(trifluoromethyl)phenyl]-7H-purine-6,8-diamine?
The InChIKey is PZLFHAMLRXMKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F6N6/c20-18(21,22)10-5-7-11(8-6-10)28-15-14-16(27-9-26-15)31-17(30-14)29-13-4-2-1-3-12(13)19(23,24)25/h1-9H,(H3,26,27,28,29,30,31).
What are the key properties of 8-N-[2-(trifluoromethyl)phenyl]-6-N-[4-(trifluoromethyl)phenyl]-7H-purine-6,8-diamine?
8-N-[2-(trifluoromethyl)phenyl]-6-N-[4-(trifluoromethyl)phenyl]-7H-purine-6,8-diamine has a molecular weight of 438.34 g/mol, XLogP of 5.88, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[2-(trifluoromethyl)phenyl]-6-N-[4-(trifluoromethyl)phenyl]-7H-purine-6,8-diamine is sourced from PubChem (CID 42642441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).