1,3-dipropyl-8-pyrazin-2-yl-7H-purine-2,6-dione

C15H18N6O2 — CID 14000474

IUPAC1,3-dipropyl-8-pyrazin-2-yl-7H-purine-2,6-dione
SMILESCCCn1c(=O)c2[nH]c(-c3cnccn3)nc2n(CCC)c1=O
InChIInChI=1S/C15H18N6O2/c1-3-7-20-13-11(14(22)21(8-4-2)15(20)23)18-12(19-13)10-9-16-5-6-17-10/h5-6,9H,3-4,7-8H2,1-2H3,(H,18,19)
InChIKeyBEKKFNDDAYCGCI-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.16
Rot. Bonds5

About 1,3-dipropyl-8-pyrazin-2-yl-7H-purine-2,6-dione

1,3-dipropyl-8-pyrazin-2-yl-7H-purine-2,6-dione (PubChem CID 14000474) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is 1,3-dipropyl-8-pyrazin-2-yl-7H-purine-2,6-dione.

Molecular Properties

Compound Name1,3-dipropyl-8-pyrazin-2-yl-7H-purine-2,6-dione
PubChem CID14000474
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC Name1,3-dipropyl-8-pyrazin-2-yl-7H-purine-2,6-dione
SMILESCCCn1c(=O)c2[nH]c(-c3cnccn3)nc2n(CCC)c1=O
InChIInChI=1S/C15H18N6O2/c1-3-7-20-13-11(14(22)21(8-4-2)15(20)23)18-12(19-13)10-9-16-5-6-17-10/h5-6,9H,3-4,7-8H2,1-2H3,(H,18,19)
InChIKeyBEKKFNDDAYCGCI-UHFFFAOYSA-N
XLogP1.16
TPSA98.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1,3-dipropyl-8-pyrazin-2-yl-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 1,3-dipropyl-8-pyrazin-2-yl-7H-purine-2,6-dione?
The IUPAC name of 1,3-dipropyl-8-pyrazin-2-yl-7H-purine-2,6-dione (CID 14000474) is 1,3-dipropyl-8-pyrazin-2-yl-7H-purine-2,6-dione.
What is the SMILES notation for 1,3-dipropyl-8-pyrazin-2-yl-7H-purine-2,6-dione?
The canonical SMILES for 1,3-dipropyl-8-pyrazin-2-yl-7H-purine-2,6-dione is CCCn1c(=O)c2[nH]c(-c3cnccn3)nc2n(CCC)c1=O.
What is the InChIKey of 1,3-dipropyl-8-pyrazin-2-yl-7H-purine-2,6-dione?
The InChIKey is BEKKFNDDAYCGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2/c1-3-7-20-13-11(14(22)21(8-4-2)15(20)23)18-12(19-13)10-9-16-5-6-17-10/h5-6,9H,3-4,7-8H2,1-2H3,(H,18,19).
What are the key properties of 1,3-dipropyl-8-pyrazin-2-yl-7H-purine-2,6-dione?
1,3-dipropyl-8-pyrazin-2-yl-7H-purine-2,6-dione has a molecular weight of 314.35 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dipropyl-8-pyrazin-2-yl-7H-purine-2,6-dione is sourced from PubChem (CID 14000474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).