7-(1-aminopropan-2-yl)-1-ethyl-3-methyl-8-(2-methylpropyl)purine-2,6-dione

C15H25N5O2 — CID 82466022

IUPAC7-(1-aminopropan-2-yl)-1-ethyl-3-methyl-8-(2-methylpropyl)purine-2,6-dione
SMILESCCn1c(=O)c2c(nc(CC(C)C)n2C(C)CN)n(C)c1=O
InChIInChI=1S/C15H25N5O2/c1-6-19-14(21)12-13(18(5)15(19)22)17-11(7-9(2)3)20(12)10(4)8-16/h9-10H,6-8,16H2,1-5H3
InChIKeyKSDPTUGENCRRSX-UHFFFAOYSA-N
MW307.40 g/mol
LogP0.63
Rot. Bonds5

About 7-(1-aminopropan-2-yl)-1-ethyl-3-methyl-8-(2-methylpropyl)purine-2,6-dione

7-(1-aminopropan-2-yl)-1-ethyl-3-methyl-8-(2-methylpropyl)purine-2,6-dione (PubChem CID 82466022) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 7-(1-aminopropan-2-yl)-1-ethyl-3-methyl-8-(2-methylpropyl)purine-2,6-dione.

Molecular Properties

Compound Name7-(1-aminopropan-2-yl)-1-ethyl-3-methyl-8-(2-methylpropyl)purine-2,6-dione
PubChem CID82466022
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name7-(1-aminopropan-2-yl)-1-ethyl-3-methyl-8-(2-methylpropyl)purine-2,6-dione
SMILESCCn1c(=O)c2c(nc(CC(C)C)n2C(C)CN)n(C)c1=O
InChIInChI=1S/C15H25N5O2/c1-6-19-14(21)12-13(18(5)15(19)22)17-11(7-9(2)3)20(12)10(4)8-16/h9-10H,6-8,16H2,1-5H3
InChIKeyKSDPTUGENCRRSX-UHFFFAOYSA-N
XLogP0.63
TPSA87.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-(1-aminopropan-2-yl)-1-ethyl-3-methyl-8-(2-methylpropyl)purine-2,6-dione with MolForge

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Related Compounds

7-(2-aminoethyl)-3-ethyl-1-methyl-8-(2-methylpropyl)purine-2,6-dione
CID 82465846
1-(1-aminopropan-2-yl)-7-ethyl-3,8-dimethylpurine-2,6-dione
CID 82466471
8-(chloromethyl)-1-ethyl-3,7-dimethylpurine-2,6-dione
CID 71396865
8-amino-1,7-diethyl-3-methylpurine-2,6-dione
CID 82464399
1-(1-aminopropan-2-yl)-3-ethyl-7,8-dimethylpurine-2,6-dione
CID 82466218
1-(2-aminoethyl)-7-methyl-8-(2-methylpropyl)-3-propylpurine-2,6-dione
CID 82466304
7-(1-aminopropan-2-yl)-1-methyl-8-propan-2-yl-3-propylpurine-2,6-dione
CID 82465885
8-(2-aminoethyl)-1,3-diethyl-7-methylpurine-2,6-dione
CID 82464444
1,7-diethyl-3-methyl-8-(methylaminomethyl)purine-2,6-dione
CID 82464413
7-(2-aminoethyl)-1,8-diethyl-3-propan-2-ylpurine-2,6-dione
CID 82466091
1-(2-amino-2-methylpropyl)-7,8-diethyl-3-methylpurine-2,6-dione
CID 82466482
1-(3-aminopropyl)-7-ethyl-8-(methoxymethyl)-3-methylpurine-2,6-dione
CID 82466508

Frequently Asked Questions

What is the IUPAC name of 7-(1-aminopropan-2-yl)-1-ethyl-3-methyl-8-(2-methylpropyl)purine-2,6-dione?
The IUPAC name of 7-(1-aminopropan-2-yl)-1-ethyl-3-methyl-8-(2-methylpropyl)purine-2,6-dione (CID 82466022) is 7-(1-aminopropan-2-yl)-1-ethyl-3-methyl-8-(2-methylpropyl)purine-2,6-dione.
What is the SMILES notation for 7-(1-aminopropan-2-yl)-1-ethyl-3-methyl-8-(2-methylpropyl)purine-2,6-dione?
The canonical SMILES for 7-(1-aminopropan-2-yl)-1-ethyl-3-methyl-8-(2-methylpropyl)purine-2,6-dione is CCn1c(=O)c2c(nc(CC(C)C)n2C(C)CN)n(C)c1=O.
What is the InChIKey of 7-(1-aminopropan-2-yl)-1-ethyl-3-methyl-8-(2-methylpropyl)purine-2,6-dione?
The InChIKey is KSDPTUGENCRRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-6-19-14(21)12-13(18(5)15(19)22)17-11(7-9(2)3)20(12)10(4)8-16/h9-10H,6-8,16H2,1-5H3.
What are the key properties of 7-(1-aminopropan-2-yl)-1-ethyl-3-methyl-8-(2-methylpropyl)purine-2,6-dione?
7-(1-aminopropan-2-yl)-1-ethyl-3-methyl-8-(2-methylpropyl)purine-2,6-dione has a molecular weight of 307.40 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-aminopropan-2-yl)-1-ethyl-3-methyl-8-(2-methylpropyl)purine-2,6-dione is sourced from PubChem (CID 82466022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).