8-[2-(dimethylamino)ethylamino]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione

C19H26N6O2 — CID 1420755

IUPAC8-[2-(dimethylamino)ethylamino]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
SMILESCN(C)CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1
InChIInChI=1S/C19H26N6O2/c1-23(2)13-11-20-18-21-16-15(17(26)22-19(27)24(16)3)25(18)12-7-10-14-8-5-4-6-9-14/h4-6,8-9H,7,10-13H2,1-3H3,(H,20,21)(H,22,26,27)
InChIKeyAJCLEBGKYMQVJU-UHFFFAOYSA-N
MW370.46 g/mol
LogP1.03
Rot. Bonds8

About 8-[2-(dimethylamino)ethylamino]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione

8-[2-(dimethylamino)ethylamino]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione (PubChem CID 1420755) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 8-[2-(dimethylamino)ethylamino]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione.

Molecular Properties

Compound Name8-[2-(dimethylamino)ethylamino]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
PubChem CID1420755
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name8-[2-(dimethylamino)ethylamino]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
SMILESCN(C)CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1
InChIInChI=1S/C19H26N6O2/c1-23(2)13-11-20-18-21-16-15(17(26)22-19(27)24(16)3)25(18)12-7-10-14-8-5-4-6-9-14/h4-6,8-9H,7,10-13H2,1-3H3,(H,20,21)(H,22,26,27)
InChIKeyAJCLEBGKYMQVJU-UHFFFAOYSA-N
XLogP1.03
TPSA87.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(dimethylamino)ethylamino]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione?
The IUPAC name of 8-[2-(dimethylamino)ethylamino]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione (CID 1420755) is 8-[2-(dimethylamino)ethylamino]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione.
What is the SMILES notation for 8-[2-(dimethylamino)ethylamino]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione?
The canonical SMILES for 8-[2-(dimethylamino)ethylamino]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione is CN(C)CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1.
What is the InChIKey of 8-[2-(dimethylamino)ethylamino]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione?
The InChIKey is AJCLEBGKYMQVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-23(2)13-11-20-18-21-16-15(17(26)22-19(27)24(16)3)25(18)12-7-10-14-8-5-4-6-9-14/h4-6,8-9H,7,10-13H2,1-3H3,(H,20,21)(H,22,26,27).
What are the key properties of 8-[2-(dimethylamino)ethylamino]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione?
8-[2-(dimethylamino)ethylamino]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione has a molecular weight of 370.46 g/mol, XLogP of 1.03, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(dimethylamino)ethylamino]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione is sourced from PubChem (CID 1420755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).