1-(1-aminopropan-2-yl)-7-ethyl-3-(2-methoxyethyl)purine-2,6-dione

C13H21N5O3 — CID 82466646

IUPAC1-(1-aminopropan-2-yl)-7-ethyl-3-(2-methoxyethyl)purine-2,6-dione
SMILESCCn1cnc2c1c(=O)n(C(C)CN)c(=O)n2CCOC
InChIInChI=1S/C13H21N5O3/c1-4-16-8-15-11-10(16)12(19)18(9(2)7-14)13(20)17(11)5-6-21-3/h8-9H,4-7,14H2,1-3H3
InChIKeyMPRHDCQPIFIIJH-UHFFFAOYSA-N
MW295.34 g/mol
LogP-0.45
Rot. Bonds6

About 1-(1-aminopropan-2-yl)-7-ethyl-3-(2-methoxyethyl)purine-2,6-dione

1-(1-aminopropan-2-yl)-7-ethyl-3-(2-methoxyethyl)purine-2,6-dione (PubChem CID 82466646) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-(1-aminopropan-2-yl)-7-ethyl-3-(2-methoxyethyl)purine-2,6-dione.

Molecular Properties

Compound Name1-(1-aminopropan-2-yl)-7-ethyl-3-(2-methoxyethyl)purine-2,6-dione
PubChem CID82466646
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Name1-(1-aminopropan-2-yl)-7-ethyl-3-(2-methoxyethyl)purine-2,6-dione
SMILESCCn1cnc2c1c(=O)n(C(C)CN)c(=O)n2CCOC
InChIInChI=1S/C13H21N5O3/c1-4-16-8-15-11-10(16)12(19)18(9(2)7-14)13(20)17(11)5-6-21-3/h8-9H,4-7,14H2,1-3H3
InChIKeyMPRHDCQPIFIIJH-UHFFFAOYSA-N
XLogP-0.45
TPSA97.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-(1-aminopropan-2-yl)-7-ethyl-3-(2-methoxyethyl)purine-2,6-dione with MolForge

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Related Compounds

1-(2-aminoethyl)-3-butyl-7-ethylpurine-2,6-dione
CID 82466610
1-(3-aminopropyl)-3-butyl-7-ethylpurine-2,6-dione
CID 82466611
ethane;7-ethyl-1,3-dimethylpurine-2,6-dione
CID 145188731
1-(1-aminopropan-2-yl)-3-ethyl-7,8-dimethylpurine-2,6-dione
CID 82466218
1-(2-aminobutyl)-7-ethyl-3-methylpurine-2,6-dione
CID 82466462
1-(1-aminopropan-2-yl)-7,8-dimethyl-3-propylpurine-2,6-dione
CID 82466284
7-(1-aminopropan-2-yl)-3-(3-methoxypropyl)purine-2,6-dione
CID 82465652
1-(1-aminopropan-2-yl)-7-ethyl-3,8-dimethylpurine-2,6-dione
CID 82466471
2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxopurin-1-yl]acetamide
CID 3384406
7-(2-aminobutyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione
CID 82465531
7-(aminomethyl)-1,3-dimethylpurine-2,6-dione
CID 22105142
7-(2-methoxyethyl)-1-(2-methylpropyl)-3-phenylpurine-2,6-dione
CID 42853124

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminopropan-2-yl)-7-ethyl-3-(2-methoxyethyl)purine-2,6-dione?
The IUPAC name of 1-(1-aminopropan-2-yl)-7-ethyl-3-(2-methoxyethyl)purine-2,6-dione (CID 82466646) is 1-(1-aminopropan-2-yl)-7-ethyl-3-(2-methoxyethyl)purine-2,6-dione.
What is the SMILES notation for 1-(1-aminopropan-2-yl)-7-ethyl-3-(2-methoxyethyl)purine-2,6-dione?
The canonical SMILES for 1-(1-aminopropan-2-yl)-7-ethyl-3-(2-methoxyethyl)purine-2,6-dione is CCn1cnc2c1c(=O)n(C(C)CN)c(=O)n2CCOC.
What is the InChIKey of 1-(1-aminopropan-2-yl)-7-ethyl-3-(2-methoxyethyl)purine-2,6-dione?
The InChIKey is MPRHDCQPIFIIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-4-16-8-15-11-10(16)12(19)18(9(2)7-14)13(20)17(11)5-6-21-3/h8-9H,4-7,14H2,1-3H3.
What are the key properties of 1-(1-aminopropan-2-yl)-7-ethyl-3-(2-methoxyethyl)purine-2,6-dione?
1-(1-aminopropan-2-yl)-7-ethyl-3-(2-methoxyethyl)purine-2,6-dione has a molecular weight of 295.34 g/mol, XLogP of -0.45, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminopropan-2-yl)-7-ethyl-3-(2-methoxyethyl)purine-2,6-dione is sourced from PubChem (CID 82466646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).