1,4-dipropylimidazo[2,1-f]purin-5-one

C13H17N5O — CID 10706416

IUPAC1,4-dipropylimidazo[2,1-f]purin-5-one
SMILESCCCn1cnc2c1c1nccn1c(=O)n2CCC
InChIInChI=1S/C13H17N5O/c1-3-6-16-9-15-12-10(16)11-14-5-8-18(11)13(19)17(12)7-4-2/h5,8-9H,3-4,6-7H2,1-2H3
InChIKeyOKVRUQNCBZQIQY-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.67
Rot. Bonds4

About 1,4-dipropylimidazo[2,1-f]purin-5-one

1,4-dipropylimidazo[2,1-f]purin-5-one (PubChem CID 10706416) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 1,4-dipropylimidazo[2,1-f]purin-5-one.

Molecular Properties

Compound Name1,4-dipropylimidazo[2,1-f]purin-5-one
PubChem CID10706416
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name1,4-dipropylimidazo[2,1-f]purin-5-one
SMILESCCCn1cnc2c1c1nccn1c(=O)n2CCC
InChIInChI=1S/C13H17N5O/c1-3-6-16-9-15-12-10(16)11-14-5-8-18(11)13(19)17(12)7-4-2/h5,8-9H,3-4,6-7H2,1-2H3
InChIKeyOKVRUQNCBZQIQY-UHFFFAOYSA-N
XLogP1.67
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-Dipropyl-7,8-dihydroimidazo[2,1-f]purin-5-one
CID 9881656
3,4-Dipropylimidazo[2,1-f]purin-5-one
CID 9859958
8-Imidazol-1-yl-1,3,7-trimethyl-3,7-dihydro-purine-2,6-dione
CID 653281
5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-3,9-dimethyl-6-propyl-
CID 3077745
5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,7-dihydro-9-methyl-6-propyl-
CID 3077754
1,4-Dipropyl-7,8-dihydroimidazo[2,1-f]purin-5-one
CID 10515565
4-propyl-1H-imidazo[2,1-f]purin-5-one
CID 10536740
6,9-Dipropyltetrazolo[5,1-f]purin-5-one
CID 10491646
6,7-Dipropyltetrazolo[5,1-f]purin-5-one
CID 10563356
1,4-Dimethyl-7,8-dihydroimidazo[2,1-f]purin-5-one
CID 44343403
1,4,7-Trimethyl-7,8-dihydroimidazo[2,1-f]purin-5-one
CID 44343411
(7R)-1,4,7-trimethyl-7,8-dihydroimidazo[2,1-f]purin-5-one
CID 54583944

Frequently Asked Questions

What is the IUPAC name of 1,4-dipropylimidazo[2,1-f]purin-5-one?
The IUPAC name of 1,4-dipropylimidazo[2,1-f]purin-5-one (CID 10706416) is 1,4-dipropylimidazo[2,1-f]purin-5-one.
What is the SMILES notation for 1,4-dipropylimidazo[2,1-f]purin-5-one?
The canonical SMILES for 1,4-dipropylimidazo[2,1-f]purin-5-one is CCCn1cnc2c1c1nccn1c(=O)n2CCC.
What is the InChIKey of 1,4-dipropylimidazo[2,1-f]purin-5-one?
The InChIKey is OKVRUQNCBZQIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-3-6-16-9-15-12-10(16)11-14-5-8-18(11)13(19)17(12)7-4-2/h5,8-9H,3-4,6-7H2,1-2H3.
What are the key properties of 1,4-dipropylimidazo[2,1-f]purin-5-one?
1,4-dipropylimidazo[2,1-f]purin-5-one has a molecular weight of 259.31 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dipropylimidazo[2,1-f]purin-5-one is sourced from PubChem (CID 10706416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).