7-(2-aminoethyl)-8-cyclopropyl-3-(2-methoxyethyl)-1-methylpurine-2,6-dione

C14H21N5O3 — CID 82465978

IUPAC7-(2-aminoethyl)-8-cyclopropyl-3-(2-methoxyethyl)-1-methylpurine-2,6-dione
SMILESCOCCn1c(=O)n(C)c(=O)c2c1nc(C1CC1)n2CCN
InChIInChI=1S/C14H21N5O3/c1-17-13(20)10-12(19(14(17)21)7-8-22-2)16-11(9-3-4-9)18(10)6-5-15/h9H,3-8,15H2,1-2H3
InChIKeyAJLDJKFSBYHSAN-UHFFFAOYSA-N
MW307.35 g/mol
LogP-0.62
Rot. Bonds6

About 7-(2-aminoethyl)-8-cyclopropyl-3-(2-methoxyethyl)-1-methylpurine-2,6-dione

7-(2-aminoethyl)-8-cyclopropyl-3-(2-methoxyethyl)-1-methylpurine-2,6-dione (PubChem CID 82465978) has the molecular formula C14H21N5O3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 7-(2-aminoethyl)-8-cyclopropyl-3-(2-methoxyethyl)-1-methylpurine-2,6-dione.

Molecular Properties

Compound Name7-(2-aminoethyl)-8-cyclopropyl-3-(2-methoxyethyl)-1-methylpurine-2,6-dione
PubChem CID82465978
Molecular FormulaC14H21N5O3
Molecular Weight307.35 g/mol
Exact Mass307.16
IUPAC Name7-(2-aminoethyl)-8-cyclopropyl-3-(2-methoxyethyl)-1-methylpurine-2,6-dione
SMILESCOCCn1c(=O)n(C)c(=O)c2c1nc(C1CC1)n2CCN
InChIInChI=1S/C14H21N5O3/c1-17-13(20)10-12(19(14(17)21)7-8-22-2)16-11(9-3-4-9)18(10)6-5-15/h9H,3-8,15H2,1-2H3
InChIKeyAJLDJKFSBYHSAN-UHFFFAOYSA-N
XLogP-0.62
TPSA97.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-(2-aminoethyl)-8-cyclopropyl-3-(2-methoxyethyl)-1-methylpurine-2,6-dione with MolForge

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Related Compounds

7-(3-aminopropyl)-8-cyclopropyl-1-methyl-3-propylpurine-2,6-dione
CID 82465892
7-(4-aminobutyl)-3-(2-methoxyethyl)-1,8-dimethylpurine-2,6-dione
CID 82465968
1-(2-aminoethyl)-8-cyclopropyl-7-methyl-3-(2-methylpropyl)purine-2,6-dione
CID 82466419
7-(2-aminoethyl)-3-ethyl-8-(2-methoxyethyl)-1-methylpurine-2,6-dione
CID 82465860
8-(chloromethyl)-7-ethyl-3-(2-methoxyethyl)-1-methylpurine-2,6-dione
CID 82465077
3,7-diethyl-1-methyl-8-piperidin-4-ylpurine-2,6-dione
CID 82464497
7-(2-aminoethyl)-8-ethyl-1-methyl-3-propylpurine-2,6-dione
CID 82465873
2-(8-cyclopropyl-1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid
CID 118975757
1-(2-aminoethyl)-3-butan-2-yl-8-cyclopropyl-7-methylpurine-2,6-dione
CID 82466396
7-(2-aminoethyl)-3-butyl-8-ethyl-1-methylpurine-2,6-dione
CID 82465901
1-(2-aminoethyl)-7-ethyl-3-(3-methoxypropyl)-8-methylpurine-2,6-dione
CID 82466657
7-(2-methoxyethyl)-1,3-dimethyl-8-methylsulfanylpurine-2,6-dione
CID 6462253

Frequently Asked Questions

What is the IUPAC name of 7-(2-aminoethyl)-8-cyclopropyl-3-(2-methoxyethyl)-1-methylpurine-2,6-dione?
The IUPAC name of 7-(2-aminoethyl)-8-cyclopropyl-3-(2-methoxyethyl)-1-methylpurine-2,6-dione (CID 82465978) is 7-(2-aminoethyl)-8-cyclopropyl-3-(2-methoxyethyl)-1-methylpurine-2,6-dione.
What is the SMILES notation for 7-(2-aminoethyl)-8-cyclopropyl-3-(2-methoxyethyl)-1-methylpurine-2,6-dione?
The canonical SMILES for 7-(2-aminoethyl)-8-cyclopropyl-3-(2-methoxyethyl)-1-methylpurine-2,6-dione is COCCn1c(=O)n(C)c(=O)c2c1nc(C1CC1)n2CCN.
What is the InChIKey of 7-(2-aminoethyl)-8-cyclopropyl-3-(2-methoxyethyl)-1-methylpurine-2,6-dione?
The InChIKey is AJLDJKFSBYHSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O3/c1-17-13(20)10-12(19(14(17)21)7-8-22-2)16-11(9-3-4-9)18(10)6-5-15/h9H,3-8,15H2,1-2H3.
What are the key properties of 7-(2-aminoethyl)-8-cyclopropyl-3-(2-methoxyethyl)-1-methylpurine-2,6-dione?
7-(2-aminoethyl)-8-cyclopropyl-3-(2-methoxyethyl)-1-methylpurine-2,6-dione has a molecular weight of 307.35 g/mol, XLogP of -0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminoethyl)-8-cyclopropyl-3-(2-methoxyethyl)-1-methylpurine-2,6-dione is sourced from PubChem (CID 82465978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).