4-propyl-1H-imidazo[2,1-f]purin-5-one

C10H11N5O — CID 10536740

IUPAC4-propyl-1H-imidazo[2,1-f]purin-5-one
SMILESCCCn1c(=O)n2ccnc2c2[nH]cnc21
InChIInChI=1S/C10H11N5O/c1-2-4-14-9-7(12-6-13-9)8-11-3-5-15(8)10(14)16/h3,5-6H,2,4H2,1H3,(H,12,13)
InChIKeyNFOSWICEZJGQPB-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.78
Rot. Bonds2

About 4-propyl-1H-imidazo[2,1-f]purin-5-one

4-propyl-1H-imidazo[2,1-f]purin-5-one (PubChem CID 10536740) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 4-propyl-1H-imidazo[2,1-f]purin-5-one.

Molecular Properties

Compound Name4-propyl-1H-imidazo[2,1-f]purin-5-one
PubChem CID10536740
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name4-propyl-1H-imidazo[2,1-f]purin-5-one
SMILESCCCn1c(=O)n2ccnc2c2[nH]cnc21
InChIInChI=1S/C10H11N5O/c1-2-4-14-9-7(12-6-13-9)8-11-3-5-15(8)10(14)16/h3,5-6H,2,4H2,1H3,(H,12,13)
InChIKeyNFOSWICEZJGQPB-UHFFFAOYSA-N
XLogP0.78
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-1H-imidazo[2,1-f]purin-5-one?
The IUPAC name of 4-propyl-1H-imidazo[2,1-f]purin-5-one (CID 10536740) is 4-propyl-1H-imidazo[2,1-f]purin-5-one.
What is the SMILES notation for 4-propyl-1H-imidazo[2,1-f]purin-5-one?
The canonical SMILES for 4-propyl-1H-imidazo[2,1-f]purin-5-one is CCCn1c(=O)n2ccnc2c2[nH]cnc21.
What is the InChIKey of 4-propyl-1H-imidazo[2,1-f]purin-5-one?
The InChIKey is NFOSWICEZJGQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c1-2-4-14-9-7(12-6-13-9)8-11-3-5-15(8)10(14)16/h3,5-6H,2,4H2,1H3,(H,12,13).
What are the key properties of 4-propyl-1H-imidazo[2,1-f]purin-5-one?
4-propyl-1H-imidazo[2,1-f]purin-5-one has a molecular weight of 217.23 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-1H-imidazo[2,1-f]purin-5-one is sourced from PubChem (CID 10536740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).