1,5-dimethyl-8-propan-2-ylimidazo[2,1-b]purin-4-one

C12H15N5O — CID 139591675

IUPAC1,5-dimethyl-8-propan-2-ylimidazo[2,1-b]purin-4-one
SMILESCC(C)c1cnc2n(C)c(=O)c3ncn(C)c3n12
InChIInChI=1S/C12H15N5O/c1-7(2)8-5-13-12-16(4)11(18)9-10(17(8)12)15(3)6-14-9/h5-7H,1-4H3
InChIKeyXHYKHFDKPFSNMJ-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.04
Rot. Bonds1

About 1,5-dimethyl-8-propan-2-ylimidazo[2,1-b]purin-4-one

1,5-dimethyl-8-propan-2-ylimidazo[2,1-b]purin-4-one (PubChem CID 139591675) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 1,5-dimethyl-8-propan-2-ylimidazo[2,1-b]purin-4-one.

Molecular Properties

Compound Name1,5-dimethyl-8-propan-2-ylimidazo[2,1-b]purin-4-one
PubChem CID139591675
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name1,5-dimethyl-8-propan-2-ylimidazo[2,1-b]purin-4-one
SMILESCC(C)c1cnc2n(C)c(=O)c3ncn(C)c3n12
InChIInChI=1S/C12H15N5O/c1-7(2)8-5-13-12-16(4)11(18)9-10(17(8)12)15(3)6-14-9/h5-7H,1-4H3
InChIKeyXHYKHFDKPFSNMJ-UHFFFAOYSA-N
XLogP1.04
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-8-propan-2-ylimidazo[2,1-b]purin-4-one?
The IUPAC name of 1,5-dimethyl-8-propan-2-ylimidazo[2,1-b]purin-4-one (CID 139591675) is 1,5-dimethyl-8-propan-2-ylimidazo[2,1-b]purin-4-one.
What is the SMILES notation for 1,5-dimethyl-8-propan-2-ylimidazo[2,1-b]purin-4-one?
The canonical SMILES for 1,5-dimethyl-8-propan-2-ylimidazo[2,1-b]purin-4-one is CC(C)c1cnc2n(C)c(=O)c3ncn(C)c3n12.
What is the InChIKey of 1,5-dimethyl-8-propan-2-ylimidazo[2,1-b]purin-4-one?
The InChIKey is XHYKHFDKPFSNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-7(2)8-5-13-12-16(4)11(18)9-10(17(8)12)15(3)6-14-9/h5-7H,1-4H3.
What are the key properties of 1,5-dimethyl-8-propan-2-ylimidazo[2,1-b]purin-4-one?
1,5-dimethyl-8-propan-2-ylimidazo[2,1-b]purin-4-one has a molecular weight of 245.29 g/mol, XLogP of 1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-8-propan-2-ylimidazo[2,1-b]purin-4-one is sourced from PubChem (CID 139591675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).