1-(9-ethylpurin-6-yl)propan-2-one

C10H12N4O — CID 24973615

IUPAC1-(9-ethylpurin-6-yl)propan-2-one
SMILESCCn1cnc2c(CC(C)=O)ncnc21
InChIInChI=1S/C10H12N4O/c1-3-14-6-13-9-8(4-7(2)15)11-5-12-10(9)14/h5-6H,3-4H2,1-2H3
InChIKeyCSZSCSSEUXCUBZ-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.98
Rot. Bonds3

About 1-(9-ethylpurin-6-yl)propan-2-one

1-(9-ethylpurin-6-yl)propan-2-one (PubChem CID 24973615) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-(9-ethylpurin-6-yl)propan-2-one.

Molecular Properties

Compound Name1-(9-ethylpurin-6-yl)propan-2-one
PubChem CID24973615
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name1-(9-ethylpurin-6-yl)propan-2-one
SMILESCCn1cnc2c(CC(C)=O)ncnc21
InChIInChI=1S/C10H12N4O/c1-3-14-6-13-9-8(4-7(2)15)11-5-12-10(9)14/h5-6H,3-4H2,1-2H3
InChIKeyCSZSCSSEUXCUBZ-UHFFFAOYSA-N
XLogP0.98
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-ethyl-N-methylpurin-6-amine
CID 23389288
1-(6-aminopurin-9-yl)propan-2-one
CID 14258026
9-ethyl-1H-purin-6-one
CID 135421831
2,3-dimethyl-1,4-dihydroquinoline;1-(9-ethylpurin-6-yl)ethanone
CID 91600802
9-ethyl-6-(5-methylfuran-2-yl)purine
CID 121008594
9-(3-methylbut-2-enyl)purine-6-carboxamide
CID 10105292
(E)-5-(6-aminopurin-9-yl)pent-3-en-2-one
CID 71531295
9-ethyl-6-(4-phenylpiperazin-1-yl)purine
CID 155980574
9-ethyl-N-[(2-fluorophenyl)methyl]purin-6-amine
CID 165433816
(9-benzylpurin-6-yl)methyl 2,2-dimethylpropanoate
CID 101351358
9-ethyl-N-[(4-methylphenyl)methyl]purin-6-amine
CID 163348607
N-benzyl-9-ethyl-N-methylpurin-6-amine
CID 163348599

Frequently Asked Questions

What is the IUPAC name of 1-(9-ethylpurin-6-yl)propan-2-one?
The IUPAC name of 1-(9-ethylpurin-6-yl)propan-2-one (CID 24973615) is 1-(9-ethylpurin-6-yl)propan-2-one.
What is the SMILES notation for 1-(9-ethylpurin-6-yl)propan-2-one?
The canonical SMILES for 1-(9-ethylpurin-6-yl)propan-2-one is CCn1cnc2c(CC(C)=O)ncnc21.
What is the InChIKey of 1-(9-ethylpurin-6-yl)propan-2-one?
The InChIKey is CSZSCSSEUXCUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-3-14-6-13-9-8(4-7(2)15)11-5-12-10(9)14/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-(9-ethylpurin-6-yl)propan-2-one?
1-(9-ethylpurin-6-yl)propan-2-one has a molecular weight of 204.23 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-ethylpurin-6-yl)propan-2-one is sourced from PubChem (CID 24973615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).