4-(cyclohexylmethyl)-6,7-dihydro-1H-imidazo[1,2-a]purin-9-one

C14H19N5O — CID 12683902

IUPAC4-(cyclohexylmethyl)-6,7-dihydro-1H-imidazo[1,2-a]purin-9-one
SMILESO=C1c2[nH]cnc2N(CC2CCCCC2)C2=NCCN12
InChIInChI=1S/C14H19N5O/c20-13-11-12(17-9-16-11)19(14-15-6-7-18(13)14)8-10-4-2-1-3-5-10/h9-10H,1-8H2,(H,16,17)
InChIKeyRUTXMOZWYUUMBO-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.62
Rot. Bonds2

About 4-(cyclohexylmethyl)-6,7-dihydro-1H-imidazo[1,2-a]purin-9-one

4-(cyclohexylmethyl)-6,7-dihydro-1H-imidazo[1,2-a]purin-9-one (PubChem CID 12683902) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-6,7-dihydro-1H-imidazo[1,2-a]purin-9-one.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-6,7-dihydro-1H-imidazo[1,2-a]purin-9-one
PubChem CID12683902
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name4-(cyclohexylmethyl)-6,7-dihydro-1H-imidazo[1,2-a]purin-9-one
SMILESO=C1c2[nH]cnc2N(CC2CCCCC2)C2=NCCN12
InChIInChI=1S/C14H19N5O/c20-13-11-12(17-9-16-11)19(14-15-6-7-18(13)14)8-10-4-2-1-3-5-10/h9-10H,1-8H2,(H,16,17)
InChIKeyRUTXMOZWYUUMBO-UHFFFAOYSA-N
XLogP1.62
TPSA64.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-6,7-dihydro-1H-imidazo[1,2-a]purin-9-one?
The IUPAC name of 4-(cyclohexylmethyl)-6,7-dihydro-1H-imidazo[1,2-a]purin-9-one (CID 12683902) is 4-(cyclohexylmethyl)-6,7-dihydro-1H-imidazo[1,2-a]purin-9-one.
What is the SMILES notation for 4-(cyclohexylmethyl)-6,7-dihydro-1H-imidazo[1,2-a]purin-9-one?
The canonical SMILES for 4-(cyclohexylmethyl)-6,7-dihydro-1H-imidazo[1,2-a]purin-9-one is O=C1c2[nH]cnc2N(CC2CCCCC2)C2=NCCN12.
What is the InChIKey of 4-(cyclohexylmethyl)-6,7-dihydro-1H-imidazo[1,2-a]purin-9-one?
The InChIKey is RUTXMOZWYUUMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c20-13-11-12(17-9-16-11)19(14-15-6-7-18(13)14)8-10-4-2-1-3-5-10/h9-10H,1-8H2,(H,16,17).
What are the key properties of 4-(cyclohexylmethyl)-6,7-dihydro-1H-imidazo[1,2-a]purin-9-one?
4-(cyclohexylmethyl)-6,7-dihydro-1H-imidazo[1,2-a]purin-9-one has a molecular weight of 273.34 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-6,7-dihydro-1H-imidazo[1,2-a]purin-9-one is sourced from PubChem (CID 12683902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).