1-methyl-3-propylpurino[7,8-a]pyridine-2,4-dione

C13H14N4O2 — CID 11747281

IUPAC1-methyl-3-propylpurino[7,8-a]pyridine-2,4-dione
SMILESCCCn1c(=O)c2c(nc3ccccn32)n(C)c1=O
InChIInChI=1S/C13H14N4O2/c1-3-7-17-12(18)10-11(15(2)13(17)19)14-9-6-4-5-8-16(9)10/h4-6,8H,3,7H2,1-2H3
InChIKeyPUHQULGBXGXREB-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.76
Rot. Bonds2

About 1-methyl-3-propylpurino[7,8-a]pyridine-2,4-dione

1-methyl-3-propylpurino[7,8-a]pyridine-2,4-dione (PubChem CID 11747281) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-methyl-3-propylpurino[7,8-a]pyridine-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-propylpurino[7,8-a]pyridine-2,4-dione
PubChem CID11747281
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name1-methyl-3-propylpurino[7,8-a]pyridine-2,4-dione
SMILESCCCn1c(=O)c2c(nc3ccccn32)n(C)c1=O
InChIInChI=1S/C13H14N4O2/c1-3-7-17-12(18)10-11(15(2)13(17)19)14-9-6-4-5-8-16(9)10/h4-6,8H,3,7H2,1-2H3
InChIKeyPUHQULGBXGXREB-UHFFFAOYSA-N
XLogP0.76
TPSA61.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propylpurino[7,8-a]pyridine-2,4-dione?
The IUPAC name of 1-methyl-3-propylpurino[7,8-a]pyridine-2,4-dione (CID 11747281) is 1-methyl-3-propylpurino[7,8-a]pyridine-2,4-dione.
What is the SMILES notation for 1-methyl-3-propylpurino[7,8-a]pyridine-2,4-dione?
The canonical SMILES for 1-methyl-3-propylpurino[7,8-a]pyridine-2,4-dione is CCCn1c(=O)c2c(nc3ccccn32)n(C)c1=O.
What is the InChIKey of 1-methyl-3-propylpurino[7,8-a]pyridine-2,4-dione?
The InChIKey is PUHQULGBXGXREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-3-7-17-12(18)10-11(15(2)13(17)19)14-9-6-4-5-8-16(9)10/h4-6,8H,3,7H2,1-2H3.
What are the key properties of 1-methyl-3-propylpurino[7,8-a]pyridine-2,4-dione?
1-methyl-3-propylpurino[7,8-a]pyridine-2,4-dione has a molecular weight of 258.28 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propylpurino[7,8-a]pyridine-2,4-dione is sourced from PubChem (CID 11747281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).