1,3-dimethyl-7-propylpurine-2,6-dione

C10H14N4O2 — CID 847168

IUPAC1,3-dimethyl-7-propylpurine-2,6-dione
SMILESCCCn1cnc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C10H14N4O2/c1-4-5-14-6-11-8-7(14)9(15)13(3)10(16)12(8)2/h6H,4-5H2,1-3H3
InChIKeyHGFWMGARSDHJFP-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.16
Rot. Bonds2

About 1,3-dimethyl-7-propylpurine-2,6-dione

1,3-dimethyl-7-propylpurine-2,6-dione (PubChem CID 847168) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 1,3-dimethyl-7-propylpurine-2,6-dione.

Molecular Properties

Compound Name1,3-dimethyl-7-propylpurine-2,6-dione
PubChem CID847168
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name1,3-dimethyl-7-propylpurine-2,6-dione
SMILESCCCn1cnc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C10H14N4O2/c1-4-5-14-6-11-8-7(14)9(15)13(3)10(16)12(8)2/h6H,4-5H2,1-3H3
InChIKeyHGFWMGARSDHJFP-UHFFFAOYSA-N
XLogP-0.16
TPSA61.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-7-propylpurine-2,6-dione?
The IUPAC name of 1,3-dimethyl-7-propylpurine-2,6-dione (CID 847168) is 1,3-dimethyl-7-propylpurine-2,6-dione.
What is the SMILES notation for 1,3-dimethyl-7-propylpurine-2,6-dione?
The canonical SMILES for 1,3-dimethyl-7-propylpurine-2,6-dione is CCCn1cnc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of 1,3-dimethyl-7-propylpurine-2,6-dione?
The InChIKey is HGFWMGARSDHJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-4-5-14-6-11-8-7(14)9(15)13(3)10(16)12(8)2/h6H,4-5H2,1-3H3.
What are the key properties of 1,3-dimethyl-7-propylpurine-2,6-dione?
1,3-dimethyl-7-propylpurine-2,6-dione has a molecular weight of 222.25 g/mol, XLogP of -0.16, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-7-propylpurine-2,6-dione is sourced from PubChem (CID 847168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).