6-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-7H-purin-2-amine

C17H21N7 — CID 75506024

IUPAC6-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-7H-purin-2-amine
SMILESCN(C)c1cccc(C2CCCN2c2nc(N)nc3nc[nH]c23)c1
InChIInChI=1S/C17H21N7/c1-23(2)12-6-3-5-11(9-12)13-7-4-8-24(13)16-14-15(20-10-19-14)21-17(18)22-16/h3,5-6,9-10,13H,4,7-8H2,1-2H3,(H3,18,19,20,21,22)
InChIKeyCWDQBVIOHUDARA-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.34
Rot. Bonds3

About 6-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-7H-purin-2-amine

6-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-7H-purin-2-amine (PubChem CID 75506024) has the molecular formula C17H21N7 and a molecular weight of 323.40 g/mol. Its IUPAC name is 6-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-7H-purin-2-amine.

Molecular Properties

Compound Name6-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-7H-purin-2-amine
PubChem CID75506024
Molecular FormulaC17H21N7
Molecular Weight323.40 g/mol
Exact Mass323.19
IUPAC Name6-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-7H-purin-2-amine
SMILESCN(C)c1cccc(C2CCCN2c2nc(N)nc3nc[nH]c23)c1
InChIInChI=1S/C17H21N7/c1-23(2)12-6-3-5-11(9-12)13-7-4-8-24(13)16-14-15(20-10-19-14)21-17(18)22-16/h3,5-6,9-10,13H,4,7-8H2,1-2H3,(H3,18,19,20,21,22)
InChIKeyCWDQBVIOHUDARA-UHFFFAOYSA-N
XLogP2.34
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-7H-purin-2-amine?
The IUPAC name of 6-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-7H-purin-2-amine (CID 75506024) is 6-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-7H-purin-2-amine.
What is the SMILES notation for 6-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-7H-purin-2-amine?
The canonical SMILES for 6-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-7H-purin-2-amine is CN(C)c1cccc(C2CCCN2c2nc(N)nc3nc[nH]c23)c1.
What is the InChIKey of 6-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-7H-purin-2-amine?
The InChIKey is CWDQBVIOHUDARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7/c1-23(2)12-6-3-5-11(9-12)13-7-4-8-24(13)16-14-15(20-10-19-14)21-17(18)22-16/h3,5-6,9-10,13H,4,7-8H2,1-2H3,(H3,18,19,20,21,22).
What are the key properties of 6-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-7H-purin-2-amine?
6-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-7H-purin-2-amine has a molecular weight of 323.40 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-7H-purin-2-amine is sourced from PubChem (CID 75506024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).