1,4-dipropyl-7,8-dihydroimidazo[2,1-f]purin-5-one

C13H19N5O — CID 10515565

IUPAC1,4-dipropyl-7,8-dihydroimidazo[2,1-f]purin-5-one
SMILESCCCN1C(=O)N2CCN=C2c2c1ncn2CCC
InChIInChI=1S/C13H19N5O/c1-3-6-16-9-15-12-10(16)11-14-5-8-18(11)13(19)17(12)7-4-2/h9H,3-8H2,1-2H3
InChIKeyBVCHDQCZVNRHRV-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.71
Rot. Bonds4

About 1,4-dipropyl-7,8-dihydroimidazo[2,1-f]purin-5-one

1,4-dipropyl-7,8-dihydroimidazo[2,1-f]purin-5-one (PubChem CID 10515565) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 1,4-dipropyl-7,8-dihydroimidazo[2,1-f]purin-5-one.

Molecular Properties

Compound Name1,4-dipropyl-7,8-dihydroimidazo[2,1-f]purin-5-one
PubChem CID10515565
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name1,4-dipropyl-7,8-dihydroimidazo[2,1-f]purin-5-one
SMILESCCCN1C(=O)N2CCN=C2c2c1ncn2CCC
InChIInChI=1S/C13H19N5O/c1-3-6-16-9-15-12-10(16)11-14-5-8-18(11)13(19)17(12)7-4-2/h9H,3-8H2,1-2H3
InChIKeyBVCHDQCZVNRHRV-UHFFFAOYSA-N
XLogP1.71
TPSA53.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,4-dipropyl-7,8-dihydroimidazo[2,1-f]purin-5-one 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 1,4-dipropyl-7,8-dihydroimidazo[2,1-f]purin-5-one?
The IUPAC name of 1,4-dipropyl-7,8-dihydroimidazo[2,1-f]purin-5-one (CID 10515565) is 1,4-dipropyl-7,8-dihydroimidazo[2,1-f]purin-5-one.
What is the SMILES notation for 1,4-dipropyl-7,8-dihydroimidazo[2,1-f]purin-5-one?
The canonical SMILES for 1,4-dipropyl-7,8-dihydroimidazo[2,1-f]purin-5-one is CCCN1C(=O)N2CCN=C2c2c1ncn2CCC.
What is the InChIKey of 1,4-dipropyl-7,8-dihydroimidazo[2,1-f]purin-5-one?
The InChIKey is BVCHDQCZVNRHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-3-6-16-9-15-12-10(16)11-14-5-8-18(11)13(19)17(12)7-4-2/h9H,3-8H2,1-2H3.
What are the key properties of 1,4-dipropyl-7,8-dihydroimidazo[2,1-f]purin-5-one?
1,4-dipropyl-7,8-dihydroimidazo[2,1-f]purin-5-one has a molecular weight of 261.33 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dipropyl-7,8-dihydroimidazo[2,1-f]purin-5-one is sourced from PubChem (CID 10515565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).