8-(ethylamino)-7-methyl-3-propan-2-ylpurine-2,6-dione

C11H17N5O2 — CID 82464051

IUPAC8-(ethylamino)-7-methyl-3-propan-2-ylpurine-2,6-dione
SMILESCCNc1nc2c(c(=O)[nH]c(=O)n2C(C)C)n1C
InChIInChI=1S/C11H17N5O2/c1-5-12-10-13-8-7(15(10)4)9(17)14-11(18)16(8)6(2)3/h6H,5H2,1-4H3,(H,12,13)(H,14,17,18)
InChIKeyUSYYJPUAGOLYKI-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.44
Rot. Bonds3

About 8-(ethylamino)-7-methyl-3-propan-2-ylpurine-2,6-dione

8-(ethylamino)-7-methyl-3-propan-2-ylpurine-2,6-dione (PubChem CID 82464051) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 8-(ethylamino)-7-methyl-3-propan-2-ylpurine-2,6-dione.

Molecular Properties

Compound Name8-(ethylamino)-7-methyl-3-propan-2-ylpurine-2,6-dione
PubChem CID82464051
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name8-(ethylamino)-7-methyl-3-propan-2-ylpurine-2,6-dione
SMILESCCNc1nc2c(c(=O)[nH]c(=O)n2C(C)C)n1C
InChIInChI=1S/C11H17N5O2/c1-5-12-10-13-8-7(15(10)4)9(17)14-11(18)16(8)6(2)3/h6H,5H2,1-4H3,(H,12,13)(H,14,17,18)
InChIKeyUSYYJPUAGOLYKI-UHFFFAOYSA-N
XLogP0.44
TPSA84.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-butan-2-yl-8-hydrazinyl-7-methylpurine-2,6-dione
CID 82464271
8-(3-aminopropylamino)-3-butan-2-yl-7-methylpurine-2,6-dione
CID 82464265
8-(ethylamino)-3-(3-methoxypropyl)-7-methylpurine-2,6-dione
CID 82464323
1-ethyl-8-(ethylamino)-7-methyl-3-propan-2-ylpurine-2,6-dione
CID 82464565
3-butan-2-yl-8-(ethylamino)-1,7-dimethylpurine-2,6-dione
CID 82464855
2-[(3,7-dimethyl-2,6-dioxopurin-8-yl)amino]acetic acid
CID 5136088
7-ethyl-8-(ethylamino)-1-methyl-3-propan-2-ylpurine-2,6-dione
CID 82464522
3-ethyl-7-methyl-8-(methylamino)purine-2,6-dione
CID 82463994
8-(2-aminoethylamino)-7-methyl-3-propylpurine-2,6-dione
CID 82464133
8-[2-(dimethylamino)ethylamino]-3-methyl-7-propan-2-ylpurine-2,6-dione
CID 3851958
8-(benzylamino)-3,7-dimethylpurine-2,6-dione
CID 677712
7-ethyl-8-(ethylamino)-3-(2-methoxyethyl)purine-2,6-dione
CID 82465455

Frequently Asked Questions

What is the IUPAC name of 8-(ethylamino)-7-methyl-3-propan-2-ylpurine-2,6-dione?
The IUPAC name of 8-(ethylamino)-7-methyl-3-propan-2-ylpurine-2,6-dione (CID 82464051) is 8-(ethylamino)-7-methyl-3-propan-2-ylpurine-2,6-dione.
What is the SMILES notation for 8-(ethylamino)-7-methyl-3-propan-2-ylpurine-2,6-dione?
The canonical SMILES for 8-(ethylamino)-7-methyl-3-propan-2-ylpurine-2,6-dione is CCNc1nc2c(c(=O)[nH]c(=O)n2C(C)C)n1C.
What is the InChIKey of 8-(ethylamino)-7-methyl-3-propan-2-ylpurine-2,6-dione?
The InChIKey is USYYJPUAGOLYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-5-12-10-13-8-7(15(10)4)9(17)14-11(18)16(8)6(2)3/h6H,5H2,1-4H3,(H,12,13)(H,14,17,18).
What are the key properties of 8-(ethylamino)-7-methyl-3-propan-2-ylpurine-2,6-dione?
8-(ethylamino)-7-methyl-3-propan-2-ylpurine-2,6-dione has a molecular weight of 251.29 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(ethylamino)-7-methyl-3-propan-2-ylpurine-2,6-dione is sourced from PubChem (CID 82464051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).