7-ethyl-1-methyl-8-(methylamino)-3-propylpurine-2,6-dione

C12H19N5O2 — CID 82464656

IUPAC7-ethyl-1-methyl-8-(methylamino)-3-propylpurine-2,6-dione
SMILESCCCn1c(=O)n(C)c(=O)c2c1nc(NC)n2CC
InChIInChI=1S/C12H19N5O2/c1-5-7-17-9-8(10(18)15(4)12(17)19)16(6-2)11(13-3)14-9/h5-7H2,1-4H3,(H,13,14)
InChIKeyKBEKGIAXKQNNFO-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.37
Rot. Bonds4

About 7-ethyl-1-methyl-8-(methylamino)-3-propylpurine-2,6-dione

7-ethyl-1-methyl-8-(methylamino)-3-propylpurine-2,6-dione (PubChem CID 82464656) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 7-ethyl-1-methyl-8-(methylamino)-3-propylpurine-2,6-dione.

Molecular Properties

Compound Name7-ethyl-1-methyl-8-(methylamino)-3-propylpurine-2,6-dione
PubChem CID82464656
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name7-ethyl-1-methyl-8-(methylamino)-3-propylpurine-2,6-dione
SMILESCCCn1c(=O)n(C)c(=O)c2c1nc(NC)n2CC
InChIInChI=1S/C12H19N5O2/c1-5-7-17-9-8(10(18)15(4)12(17)19)16(6-2)11(13-3)14-9/h5-7H2,1-4H3,(H,13,14)
InChIKeyKBEKGIAXKQNNFO-UHFFFAOYSA-N
XLogP0.37
TPSA73.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-butyl-7-ethyl-1-methyl-8-(methylamino)purine-2,6-dione
CID 82464795
7-ethyl-1,3-dimethyl-8-(methylamino)purine-2,6-dione
CID 719396
1,3,7-triethyl-8-(methylamino)purine-2,6-dione
CID 82464428
1,7-dimethyl-8-(methylamino)-3-(2-methylpropyl)purine-2,6-dione
CID 82464966
8-(butan-2-ylamino)-7-ethyl-1,3-dimethylpurine-2,6-dione
CID 16805287
7-ethyl-8-(ethylamino)-1-methyl-3-propan-2-ylpurine-2,6-dione
CID 82464522
7-(2-aminoethyl)-8-ethyl-1-methyl-3-propylpurine-2,6-dione
CID 82465873
1,3-dimethyl-8-(methylamino)-9-propylpurine-2,6-dione
CID 82463756
2-[(7-ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)amino]acetic acid
CID 27370820
3-ethyl-1,7,8-trimethylpurine-2,6-dione
CID 59939546
7-ethyl-1,3,8-trimethylpurine-2,6-dione;N-methylmethanamine
CID 20562628
2-[(7-ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)amino]ethyl-dimethylazanium
CID 3620443

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1-methyl-8-(methylamino)-3-propylpurine-2,6-dione?
The IUPAC name of 7-ethyl-1-methyl-8-(methylamino)-3-propylpurine-2,6-dione (CID 82464656) is 7-ethyl-1-methyl-8-(methylamino)-3-propylpurine-2,6-dione.
What is the SMILES notation for 7-ethyl-1-methyl-8-(methylamino)-3-propylpurine-2,6-dione?
The canonical SMILES for 7-ethyl-1-methyl-8-(methylamino)-3-propylpurine-2,6-dione is CCCn1c(=O)n(C)c(=O)c2c1nc(NC)n2CC.
What is the InChIKey of 7-ethyl-1-methyl-8-(methylamino)-3-propylpurine-2,6-dione?
The InChIKey is KBEKGIAXKQNNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-5-7-17-9-8(10(18)15(4)12(17)19)16(6-2)11(13-3)14-9/h5-7H2,1-4H3,(H,13,14).
What are the key properties of 7-ethyl-1-methyl-8-(methylamino)-3-propylpurine-2,6-dione?
7-ethyl-1-methyl-8-(methylamino)-3-propylpurine-2,6-dione has a molecular weight of 265.32 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1-methyl-8-(methylamino)-3-propylpurine-2,6-dione is sourced from PubChem (CID 82464656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).