8-N-(2,6-difluorophenyl)-9-methyl-2-N-propan-2-ylpurine-2,8-diamine

C15H16F2N6 — CID 130311407

IUPAC8-N-(2,6-difluorophenyl)-9-methyl-2-N-propan-2-ylpurine-2,8-diamine
SMILESCC(C)Nc1ncc2nc(Nc3c(F)cccc3F)n(C)c2n1
InChIInChI=1S/C15H16F2N6/c1-8(2)19-14-18-7-11-13(22-14)23(3)15(20-11)21-12-9(16)5-4-6-10(12)17/h4-8H,1-3H3,(H,20,21)(H,18,19,22)
InChIKeyTUDOXIGDSYHQLL-UHFFFAOYSA-N
MW318.33 g/mol
LogP3.21
Rot. Bonds4

About 8-N-(2,6-difluorophenyl)-9-methyl-2-N-propan-2-ylpurine-2,8-diamine

8-N-(2,6-difluorophenyl)-9-methyl-2-N-propan-2-ylpurine-2,8-diamine (PubChem CID 130311407) has the molecular formula C15H16F2N6 and a molecular weight of 318.33 g/mol. Its IUPAC name is 8-N-(2,6-difluorophenyl)-9-methyl-2-N-propan-2-ylpurine-2,8-diamine.

Molecular Properties

Compound Name8-N-(2,6-difluorophenyl)-9-methyl-2-N-propan-2-ylpurine-2,8-diamine
PubChem CID130311407
Molecular FormulaC15H16F2N6
Molecular Weight318.33 g/mol
Exact Mass318.14
IUPAC Name8-N-(2,6-difluorophenyl)-9-methyl-2-N-propan-2-ylpurine-2,8-diamine
SMILESCC(C)Nc1ncc2nc(Nc3c(F)cccc3F)n(C)c2n1
InChIInChI=1S/C15H16F2N6/c1-8(2)19-14-18-7-11-13(22-14)23(3)15(20-11)21-12-9(16)5-4-6-10(12)17/h4-8H,1-3H3,(H,20,21)(H,18,19,22)
InChIKeyTUDOXIGDSYHQLL-UHFFFAOYSA-N
XLogP3.21
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-N-(2,6-difluorophenyl)-9-methyl-2-N-propan-2-ylpurine-2,8-diamine?
The IUPAC name of 8-N-(2,6-difluorophenyl)-9-methyl-2-N-propan-2-ylpurine-2,8-diamine (CID 130311407) is 8-N-(2,6-difluorophenyl)-9-methyl-2-N-propan-2-ylpurine-2,8-diamine.
What is the SMILES notation for 8-N-(2,6-difluorophenyl)-9-methyl-2-N-propan-2-ylpurine-2,8-diamine?
The canonical SMILES for 8-N-(2,6-difluorophenyl)-9-methyl-2-N-propan-2-ylpurine-2,8-diamine is CC(C)Nc1ncc2nc(Nc3c(F)cccc3F)n(C)c2n1.
What is the InChIKey of 8-N-(2,6-difluorophenyl)-9-methyl-2-N-propan-2-ylpurine-2,8-diamine?
The InChIKey is TUDOXIGDSYHQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N6/c1-8(2)19-14-18-7-11-13(22-14)23(3)15(20-11)21-12-9(16)5-4-6-10(12)17/h4-8H,1-3H3,(H,20,21)(H,18,19,22).
What are the key properties of 8-N-(2,6-difluorophenyl)-9-methyl-2-N-propan-2-ylpurine-2,8-diamine?
8-N-(2,6-difluorophenyl)-9-methyl-2-N-propan-2-ylpurine-2,8-diamine has a molecular weight of 318.33 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(2,6-difluorophenyl)-9-methyl-2-N-propan-2-ylpurine-2,8-diamine is sourced from PubChem (CID 130311407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).