8-[6-(methylamino)-3-pyridinyl]-1,3-dipropyl-7H-purine-2,6-dione

C17H22N6O2 — CID 67054391

IUPAC8-[6-(methylamino)-3-pyridinyl]-1,3-dipropyl-7H-purine-2,6-dione
SMILESCCCn1c(=O)c2[nH]c(-c3ccc(NC)nc3)nc2n(CCC)c1=O
InChIInChI=1S/C17H22N6O2/c1-4-8-22-15-13(16(24)23(9-5-2)17(22)25)20-14(21-15)11-6-7-12(18-3)19-10-11/h6-7,10H,4-5,8-9H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyUZVULRPRIUSGOU-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.81
Rot. Bonds6

About 8-[6-(methylamino)-3-pyridinyl]-1,3-dipropyl-7H-purine-2,6-dione

8-[6-(methylamino)-3-pyridinyl]-1,3-dipropyl-7H-purine-2,6-dione (PubChem CID 67054391) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 8-[6-(methylamino)-3-pyridinyl]-1,3-dipropyl-7H-purine-2,6-dione.

Molecular Properties

Compound Name8-[6-(methylamino)-3-pyridinyl]-1,3-dipropyl-7H-purine-2,6-dione
PubChem CID67054391
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name8-[6-(methylamino)-3-pyridinyl]-1,3-dipropyl-7H-purine-2,6-dione
SMILESCCCn1c(=O)c2[nH]c(-c3ccc(NC)nc3)nc2n(CCC)c1=O
InChIInChI=1S/C17H22N6O2/c1-4-8-22-15-13(16(24)23(9-5-2)17(22)25)20-14(21-15)11-6-7-12(18-3)19-10-11/h6-7,10H,4-5,8-9H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyUZVULRPRIUSGOU-UHFFFAOYSA-N
XLogP1.81
TPSA97.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 8-[6-(methylamino)-3-pyridinyl]-1,3-dipropyl-7H-purine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[6-(methylamino)-3-pyridinyl]-1,3-dipropyl-7H-purine-2,6-dione?
The IUPAC name of 8-[6-(methylamino)-3-pyridinyl]-1,3-dipropyl-7H-purine-2,6-dione (CID 67054391) is 8-[6-(methylamino)-3-pyridinyl]-1,3-dipropyl-7H-purine-2,6-dione.
What is the SMILES notation for 8-[6-(methylamino)-3-pyridinyl]-1,3-dipropyl-7H-purine-2,6-dione?
The canonical SMILES for 8-[6-(methylamino)-3-pyridinyl]-1,3-dipropyl-7H-purine-2,6-dione is CCCn1c(=O)c2[nH]c(-c3ccc(NC)nc3)nc2n(CCC)c1=O.
What is the InChIKey of 8-[6-(methylamino)-3-pyridinyl]-1,3-dipropyl-7H-purine-2,6-dione?
The InChIKey is UZVULRPRIUSGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-4-8-22-15-13(16(24)23(9-5-2)17(22)25)20-14(21-15)11-6-7-12(18-3)19-10-11/h6-7,10H,4-5,8-9H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 8-[6-(methylamino)-3-pyridinyl]-1,3-dipropyl-7H-purine-2,6-dione?
8-[6-(methylamino)-3-pyridinyl]-1,3-dipropyl-7H-purine-2,6-dione has a molecular weight of 342.40 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(methylamino)-3-pyridinyl]-1,3-dipropyl-7H-purine-2,6-dione is sourced from PubChem (CID 67054391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).