8-(aminomethyl)-9-ethyl-1,3-dimethylpurine-2,6-dione

C10H15N5O2 — CID 82463698

IUPAC8-(aminomethyl)-9-ethyl-1,3-dimethylpurine-2,6-dione
SMILESCCn1c(CN)nc2c(=O)n(C)c(=O)n(C)c21
InChIInChI=1S/C10H15N5O2/c1-4-15-6(5-11)12-7-8(15)13(2)10(17)14(3)9(7)16/h4-5,11H2,1-3H3
InChIKeyZHNQYYMJRBNHIQ-UHFFFAOYSA-N
MW237.26 g/mol
LogP-1.09
Rot. Bonds2

About 8-(aminomethyl)-9-ethyl-1,3-dimethylpurine-2,6-dione

8-(aminomethyl)-9-ethyl-1,3-dimethylpurine-2,6-dione (PubChem CID 82463698) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 8-(aminomethyl)-9-ethyl-1,3-dimethylpurine-2,6-dione.

Molecular Properties

Compound Name8-(aminomethyl)-9-ethyl-1,3-dimethylpurine-2,6-dione
PubChem CID82463698
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name8-(aminomethyl)-9-ethyl-1,3-dimethylpurine-2,6-dione
SMILESCCn1c(CN)nc2c(=O)n(C)c(=O)n(C)c21
InChIInChI=1S/C10H15N5O2/c1-4-15-6(5-11)12-7-8(15)13(2)10(17)14(3)9(7)16/h4-5,11H2,1-3H3
InChIKeyZHNQYYMJRBNHIQ-UHFFFAOYSA-N
XLogP-1.09
TPSA87.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

8-(3-aminopropyl)-1,3-dimethyl-9-propylpurine-2,6-dione
CID 82463751
9-ethyl-1,3-dimethyl-8-(piperazin-1-ylmethyl)purine-2,6-dione
CID 82463713
8-(bromomethyl)-1,3,9-trimethylpurine-2,6-dione
CID 82463686
8-amino-9-butyl-1,3-dimethylpurine-2,6-dione
CID 82463788
1,3-dimethyl-8-(methylamino)-9-propylpurine-2,6-dione
CID 82463756
2-[(9-ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)amino]acetic acid
CID 82463719
9-ethyl-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione
CID 82463704
1,3-dimethyl-2,6-dioxo-9-propylpurine-8-carboxylic acid
CID 82463758
9-(2-methoxyethyl)-1,3-dimethyl-8-(methylaminomethyl)purine-2,6-dione
CID 82463817
8-(2-aminoethylsulfanyl)-1,3,9-trimethylpurine-2,6-dione
CID 134065116
8-bromo-9-(3-hydroxypropyl)-1,3-dimethylpurine-2,6-dione
CID 111126928
8-bromo-1,3-dimethyl-9-(3-methylbutyl)purine-2,6-dione
CID 38837894

Frequently Asked Questions

What is the IUPAC name of 8-(aminomethyl)-9-ethyl-1,3-dimethylpurine-2,6-dione?
The IUPAC name of 8-(aminomethyl)-9-ethyl-1,3-dimethylpurine-2,6-dione (CID 82463698) is 8-(aminomethyl)-9-ethyl-1,3-dimethylpurine-2,6-dione.
What is the SMILES notation for 8-(aminomethyl)-9-ethyl-1,3-dimethylpurine-2,6-dione?
The canonical SMILES for 8-(aminomethyl)-9-ethyl-1,3-dimethylpurine-2,6-dione is CCn1c(CN)nc2c(=O)n(C)c(=O)n(C)c21.
What is the InChIKey of 8-(aminomethyl)-9-ethyl-1,3-dimethylpurine-2,6-dione?
The InChIKey is ZHNQYYMJRBNHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-4-15-6(5-11)12-7-8(15)13(2)10(17)14(3)9(7)16/h4-5,11H2,1-3H3.
What are the key properties of 8-(aminomethyl)-9-ethyl-1,3-dimethylpurine-2,6-dione?
8-(aminomethyl)-9-ethyl-1,3-dimethylpurine-2,6-dione has a molecular weight of 237.26 g/mol, XLogP of -1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(aminomethyl)-9-ethyl-1,3-dimethylpurine-2,6-dione is sourced from PubChem (CID 82463698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).