2-N-[3-(dimethylamino)phenyl]-7H-purine-2,6-diamine

C13H15N7 — CID 117084265

IUPAC2-N-[3-(dimethylamino)phenyl]-7H-purine-2,6-diamine
SMILESCN(C)c1cccc(Nc2nc(N)c3[nH]cnc3n2)c1
InChIInChI=1S/C13H15N7/c1-20(2)9-5-3-4-8(6-9)17-13-18-11(14)10-12(19-13)16-7-15-10/h3-7H,1-2H3,(H4,14,15,16,17,18,19)
InChIKeyXGRPZJUFXJGOMJ-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.74
Rot. Bonds3

About 2-N-[3-(dimethylamino)phenyl]-7H-purine-2,6-diamine

2-N-[3-(dimethylamino)phenyl]-7H-purine-2,6-diamine (PubChem CID 117084265) has the molecular formula C13H15N7 and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-N-[3-(dimethylamino)phenyl]-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-[3-(dimethylamino)phenyl]-7H-purine-2,6-diamine
PubChem CID117084265
Molecular FormulaC13H15N7
Molecular Weight269.31 g/mol
Exact Mass269.14
IUPAC Name2-N-[3-(dimethylamino)phenyl]-7H-purine-2,6-diamine
SMILESCN(C)c1cccc(Nc2nc(N)c3[nH]cnc3n2)c1
InChIInChI=1S/C13H15N7/c1-20(2)9-5-3-4-8(6-9)17-13-18-11(14)10-12(19-13)16-7-15-10/h3-7H,1-2H3,(H4,14,15,16,17,18,19)
InChIKeyXGRPZJUFXJGOMJ-UHFFFAOYSA-N
XLogP1.74
TPSA95.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(dimethylamino)phenyl]-7H-purine-2,6-diamine?
The IUPAC name of 2-N-[3-(dimethylamino)phenyl]-7H-purine-2,6-diamine (CID 117084265) is 2-N-[3-(dimethylamino)phenyl]-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N-[3-(dimethylamino)phenyl]-7H-purine-2,6-diamine?
The canonical SMILES for 2-N-[3-(dimethylamino)phenyl]-7H-purine-2,6-diamine is CN(C)c1cccc(Nc2nc(N)c3[nH]cnc3n2)c1.
What is the InChIKey of 2-N-[3-(dimethylamino)phenyl]-7H-purine-2,6-diamine?
The InChIKey is XGRPZJUFXJGOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7/c1-20(2)9-5-3-4-8(6-9)17-13-18-11(14)10-12(19-13)16-7-15-10/h3-7H,1-2H3,(H4,14,15,16,17,18,19).
What are the key properties of 2-N-[3-(dimethylamino)phenyl]-7H-purine-2,6-diamine?
2-N-[3-(dimethylamino)phenyl]-7H-purine-2,6-diamine has a molecular weight of 269.31 g/mol, XLogP of 1.74, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(dimethylamino)phenyl]-7H-purine-2,6-diamine is sourced from PubChem (CID 117084265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).