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

C15H23N5O2 — CID 82466396

IUPAC1-(2-aminoethyl)-3-butan-2-yl-8-cyclopropyl-7-methylpurine-2,6-dione
SMILESCCC(C)n1c(=O)n(CCN)c(=O)c2c1nc(C1CC1)n2C
InChIInChI=1S/C15H23N5O2/c1-4-9(2)20-13-11(14(21)19(8-7-16)15(20)22)18(3)12(17-13)10-5-6-10/h9-10H,4-8,16H2,1-3H3
InChIKeyFGFLINSGMLKRLB-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.70
Rot. Bonds5

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

1-(2-aminoethyl)-3-butan-2-yl-8-cyclopropyl-7-methylpurine-2,6-dione (PubChem CID 82466396) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-(2-aminoethyl)-3-butan-2-yl-8-cyclopropyl-7-methylpurine-2,6-dione.

Molecular Properties

Compound Name1-(2-aminoethyl)-3-butan-2-yl-8-cyclopropyl-7-methylpurine-2,6-dione
PubChem CID82466396
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name1-(2-aminoethyl)-3-butan-2-yl-8-cyclopropyl-7-methylpurine-2,6-dione
SMILESCCC(C)n1c(=O)n(CCN)c(=O)c2c1nc(C1CC1)n2C
InChIInChI=1S/C15H23N5O2/c1-4-9(2)20-13-11(14(21)19(8-7-16)15(20)22)18(3)12(17-13)10-5-6-10/h9-10H,4-8,16H2,1-3H3
InChIKeyFGFLINSGMLKRLB-UHFFFAOYSA-N
XLogP0.70
TPSA87.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-aminoethyl)-3-butan-2-yl-7-methyl-8-propan-2-ylpurine-2,6-dione
CID 82466394
1-(2-aminoethyl)-8-cyclopropyl-7-methyl-3-(2-methylpropyl)purine-2,6-dione
CID 82466419
1-(2-aminoethyl)-3-butan-2-yl-8-(methoxymethyl)-7-methylpurine-2,6-dione
CID 82466395
8-amino-3-butan-2-yl-1,7-dimethylpurine-2,6-dione
CID 82464848
7-(2-aminoethyl)-8-cyclopropyl-3-(2-methoxyethyl)-1-methylpurine-2,6-dione
CID 82465978
1-(2-aminoethyl)-7-ethyl-3-propan-2-yl-8-propylpurine-2,6-dione
CID 82466583
7-(3-aminopropyl)-8-cyclopropyl-1-methyl-3-propylpurine-2,6-dione
CID 82465892
1-ethyl-7-methyl-3-propan-2-yl-8-pyrrolidin-2-ylpurine-2,6-dione
CID 82464563
3-butan-2-yl-8-(ethylamino)-1,7-dimethylpurine-2,6-dione
CID 82464855
1-(2-aminoethyl)-7-methyl-8-(2-methylpropyl)-3-propylpurine-2,6-dione
CID 82466304
7-(2-aminoethyl)-1,8-diethyl-3-propan-2-ylpurine-2,6-dione
CID 82466091
1,7-dimethyl-8-piperidin-4-yl-3-propylpurine-2,6-dione
CID 82464598

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-3-butan-2-yl-8-cyclopropyl-7-methylpurine-2,6-dione?
The IUPAC name of 1-(2-aminoethyl)-3-butan-2-yl-8-cyclopropyl-7-methylpurine-2,6-dione (CID 82466396) is 1-(2-aminoethyl)-3-butan-2-yl-8-cyclopropyl-7-methylpurine-2,6-dione.
What is the SMILES notation for 1-(2-aminoethyl)-3-butan-2-yl-8-cyclopropyl-7-methylpurine-2,6-dione?
The canonical SMILES for 1-(2-aminoethyl)-3-butan-2-yl-8-cyclopropyl-7-methylpurine-2,6-dione is CCC(C)n1c(=O)n(CCN)c(=O)c2c1nc(C1CC1)n2C.
What is the InChIKey of 1-(2-aminoethyl)-3-butan-2-yl-8-cyclopropyl-7-methylpurine-2,6-dione?
The InChIKey is FGFLINSGMLKRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-4-9(2)20-13-11(14(21)19(8-7-16)15(20)22)18(3)12(17-13)10-5-6-10/h9-10H,4-8,16H2,1-3H3.
What are the key properties of 1-(2-aminoethyl)-3-butan-2-yl-8-cyclopropyl-7-methylpurine-2,6-dione?
1-(2-aminoethyl)-3-butan-2-yl-8-cyclopropyl-7-methylpurine-2,6-dione has a molecular weight of 305.38 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-3-butan-2-yl-8-cyclopropyl-7-methylpurine-2,6-dione is sourced from PubChem (CID 82466396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).