2-N-pyrimidin-2-yl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine

C11H9F3N8 — CID 162668060

IUPAC2-N-pyrimidin-2-yl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine
SMILESFC(F)(F)CNc1nc(Nc2ncccn2)nc2nc[nH]c12
InChIInChI=1S/C11H9F3N8/c12-11(13,14)4-17-7-6-8(19-5-18-6)21-10(20-7)22-9-15-2-1-3-16-9/h1-3,5H,4H2,(H3,15,16,17,18,19,20,21,22)
InChIKeyUSWPYHFFAGSQOD-UHFFFAOYSA-N
MW310.24 g/mol
LogP1.86
Rot. Bonds4

About 2-N-pyrimidin-2-yl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine

2-N-pyrimidin-2-yl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine (PubChem CID 162668060) has the molecular formula C11H9F3N8 and a molecular weight of 310.24 g/mol. Its IUPAC name is 2-N-pyrimidin-2-yl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-pyrimidin-2-yl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine
PubChem CID162668060
Molecular FormulaC11H9F3N8
Molecular Weight310.24 g/mol
Exact Mass310.09
IUPAC Name2-N-pyrimidin-2-yl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine
SMILESFC(F)(F)CNc1nc(Nc2ncccn2)nc2nc[nH]c12
InChIInChI=1S/C11H9F3N8/c12-11(13,14)4-17-7-6-8(19-5-18-6)21-10(20-7)22-9-15-2-1-3-16-9/h1-3,5H,4H2,(H3,15,16,17,18,19,20,21,22)
InChIKeyUSWPYHFFAGSQOD-UHFFFAOYSA-N
XLogP1.86
TPSA104.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-pyrimidin-2-yl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine?
The IUPAC name of 2-N-pyrimidin-2-yl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine (CID 162668060) is 2-N-pyrimidin-2-yl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N-pyrimidin-2-yl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine?
The canonical SMILES for 2-N-pyrimidin-2-yl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine is FC(F)(F)CNc1nc(Nc2ncccn2)nc2nc[nH]c12.
What is the InChIKey of 2-N-pyrimidin-2-yl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine?
The InChIKey is USWPYHFFAGSQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N8/c12-11(13,14)4-17-7-6-8(19-5-18-6)21-10(20-7)22-9-15-2-1-3-16-9/h1-3,5H,4H2,(H3,15,16,17,18,19,20,21,22).
What are the key properties of 2-N-pyrimidin-2-yl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine?
2-N-pyrimidin-2-yl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine has a molecular weight of 310.24 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-pyrimidin-2-yl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine is sourced from PubChem (CID 162668060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).