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

Name: 2-N-[3-(dimethylamino)phenyl]-7H-purine-2,6-diamine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₁₅N₇ — CID 117084265

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	2-N-[3-(dimethylamino)phenyl]-7H-purine-2,6-diamine
PubChem CID	117084265
Molecular Formula	C₁₃H₁₅N₇
Molecular Weight	269.31 g/mol
Exact Mass	269.14
IUPAC Name	2-N-[3-(dimethylamino)phenyl]-7H-purine-2,6-diamine
SMILES	CN(C)c1cccc(Nc2nc(N)c3[nH]cnc3n2)c1
InChI	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)
InChIKey	XGRPZJUFXJGOMJ-UHFFFAOYSA-N
XLogP	1.74
TPSA	95.75 Å²
H-Bond Donors	3
H-Bond Acceptors	6
Rotatable Bonds	3
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	269.31
LogP ≤ 5	1.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

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).

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Sources

PubChem CID 117084265 — identifiers, structure, computed properties (public domain)

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