8-chloro-1-methyl-7-prop-2-enyl-3-(2-trimethylsilylethoxymethyl)purine-2,6-dione

C15H23ClN4O3Si — CID 59299565

IUPAC8-chloro-1-methyl-7-prop-2-enyl-3-(2-trimethylsilylethoxymethyl)purine-2,6-dione
SMILESC=CCn1c(Cl)nc2c1c(=O)n(C)c(=O)n2COCC[Si](C)(C)C
InChIInChI=1S/C15H23ClN4O3Si/c1-6-7-19-11-12(17-14(19)16)20(15(22)18(2)13(11)21)10-23-8-9-24(3,4)5/h6H,1,7-10H2,2-5H3
InChIKeyNAKWNXNAVSVBQI-UHFFFAOYSA-N
MW370.91 g/mol
LogP2.05
Rot. Bonds7

About 8-chloro-1-methyl-7-prop-2-enyl-3-(2-trimethylsilylethoxymethyl)purine-2,6-dione

8-chloro-1-methyl-7-prop-2-enyl-3-(2-trimethylsilylethoxymethyl)purine-2,6-dione (PubChem CID 59299565) has the molecular formula C15H23ClN4O3Si and a molecular weight of 370.91 g/mol. Its IUPAC name is 8-chloro-1-methyl-7-prop-2-enyl-3-(2-trimethylsilylethoxymethyl)purine-2,6-dione.

Molecular Properties

Compound Name8-chloro-1-methyl-7-prop-2-enyl-3-(2-trimethylsilylethoxymethyl)purine-2,6-dione
PubChem CID59299565
Molecular FormulaC15H23ClN4O3Si
Molecular Weight370.91 g/mol
Exact Mass370.12
IUPAC Name8-chloro-1-methyl-7-prop-2-enyl-3-(2-trimethylsilylethoxymethyl)purine-2,6-dione
SMILESC=CCn1c(Cl)nc2c1c(=O)n(C)c(=O)n2COCC[Si](C)(C)C
InChIInChI=1S/C15H23ClN4O3Si/c1-6-7-19-11-12(17-14(19)16)20(15(22)18(2)13(11)21)10-23-8-9-24(3,4)5/h6H,1,7-10H2,2-5H3
InChIKeyNAKWNXNAVSVBQI-UHFFFAOYSA-N
XLogP2.05
TPSA71.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.91
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-methyl-7-prop-2-enyl-3-(2-trimethylsilylethoxymethyl)purine-2,6-dione?
The IUPAC name of 8-chloro-1-methyl-7-prop-2-enyl-3-(2-trimethylsilylethoxymethyl)purine-2,6-dione (CID 59299565) is 8-chloro-1-methyl-7-prop-2-enyl-3-(2-trimethylsilylethoxymethyl)purine-2,6-dione.
What is the SMILES notation for 8-chloro-1-methyl-7-prop-2-enyl-3-(2-trimethylsilylethoxymethyl)purine-2,6-dione?
The canonical SMILES for 8-chloro-1-methyl-7-prop-2-enyl-3-(2-trimethylsilylethoxymethyl)purine-2,6-dione is C=CCn1c(Cl)nc2c1c(=O)n(C)c(=O)n2COCC[Si](C)(C)C.
What is the InChIKey of 8-chloro-1-methyl-7-prop-2-enyl-3-(2-trimethylsilylethoxymethyl)purine-2,6-dione?
The InChIKey is NAKWNXNAVSVBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O3Si/c1-6-7-19-11-12(17-14(19)16)20(15(22)18(2)13(11)21)10-23-8-9-24(3,4)5/h6H,1,7-10H2,2-5H3.
What are the key properties of 8-chloro-1-methyl-7-prop-2-enyl-3-(2-trimethylsilylethoxymethyl)purine-2,6-dione?
8-chloro-1-methyl-7-prop-2-enyl-3-(2-trimethylsilylethoxymethyl)purine-2,6-dione has a molecular weight of 370.91 g/mol, XLogP of 2.05, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-methyl-7-prop-2-enyl-3-(2-trimethylsilylethoxymethyl)purine-2,6-dione is sourced from PubChem (CID 59299565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).