8-(2-aminoethylamino)-7-methyl-3-propylpurine-2,6-dione

C11H18N6O2 — CID 82464133

IUPAC8-(2-aminoethylamino)-7-methyl-3-propylpurine-2,6-dione
SMILESCCCn1c(=O)[nH]c(=O)c2c1nc(NCCN)n2C
InChIInChI=1S/C11H18N6O2/c1-3-6-17-8-7(9(18)15-11(17)19)16(2)10(14-8)13-5-4-12/h3-6,12H2,1-2H3,(H,13,14)(H,15,18,19)
InChIKeyMNQQKTLLHHIRFZ-UHFFFAOYSA-N
MW266.31 g/mol
LogP-0.80
Rot. Bonds5

About 8-(2-aminoethylamino)-7-methyl-3-propylpurine-2,6-dione

8-(2-aminoethylamino)-7-methyl-3-propylpurine-2,6-dione (PubChem CID 82464133) has the molecular formula C11H18N6O2 and a molecular weight of 266.31 g/mol. Its IUPAC name is 8-(2-aminoethylamino)-7-methyl-3-propylpurine-2,6-dione.

Molecular Properties

Compound Name8-(2-aminoethylamino)-7-methyl-3-propylpurine-2,6-dione
PubChem CID82464133
Molecular FormulaC11H18N6O2
Molecular Weight266.31 g/mol
Exact Mass266.15
IUPAC Name8-(2-aminoethylamino)-7-methyl-3-propylpurine-2,6-dione
SMILESCCCn1c(=O)[nH]c(=O)c2c1nc(NCCN)n2C
InChIInChI=1S/C11H18N6O2/c1-3-6-17-8-7(9(18)15-11(17)19)16(2)10(14-8)13-5-4-12/h3-6,12H2,1-2H3,(H,13,14)(H,15,18,19)
InChIKeyMNQQKTLLHHIRFZ-UHFFFAOYSA-N
XLogP-0.80
TPSA110.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

8-(2-aminoethylamino)-3-(3-methoxypropyl)-7-methylpurine-2,6-dione
CID 82464328
3-ethyl-7-methyl-8-(methylamino)purine-2,6-dione
CID 82463994
8-(ethylamino)-3-(3-methoxypropyl)-7-methylpurine-2,6-dione
CID 82464323
8-(3-hydroxypropylamino)-3-(2-methoxyethyl)-7-methylpurine-2,6-dione
CID 82464244
8-(3-aminopropylamino)-3-butan-2-yl-7-methylpurine-2,6-dione
CID 82464265
3-(3-methoxypropyl)-7-methyl-8-(methylamino)purine-2,6-dione
CID 82464322
8-(ethylamino)-7-methyl-3-propan-2-ylpurine-2,6-dione
CID 82464051
8-(2-aminoethylamino)-1-ethyl-3-(2-methoxyethyl)-7-methylpurine-2,6-dione
CID 82465055
7-methyl-8-piperidin-4-yl-3-propylpurine-2,6-dione
CID 82464122
8-amino-3-ethyl-7-methylpurine-2,6-dione
CID 82463984
2-[(3,7-dimethyl-2,6-dioxopurin-8-yl)amino]acetic acid
CID 5136088
8-(2-hydroxyethylamino)-3-methyl-7-nonylpurine-2,6-dione
CID 44892318

Frequently Asked Questions

What is the IUPAC name of 8-(2-aminoethylamino)-7-methyl-3-propylpurine-2,6-dione?
The IUPAC name of 8-(2-aminoethylamino)-7-methyl-3-propylpurine-2,6-dione (CID 82464133) is 8-(2-aminoethylamino)-7-methyl-3-propylpurine-2,6-dione.
What is the SMILES notation for 8-(2-aminoethylamino)-7-methyl-3-propylpurine-2,6-dione?
The canonical SMILES for 8-(2-aminoethylamino)-7-methyl-3-propylpurine-2,6-dione is CCCn1c(=O)[nH]c(=O)c2c1nc(NCCN)n2C.
What is the InChIKey of 8-(2-aminoethylamino)-7-methyl-3-propylpurine-2,6-dione?
The InChIKey is MNQQKTLLHHIRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2/c1-3-6-17-8-7(9(18)15-11(17)19)16(2)10(14-8)13-5-4-12/h3-6,12H2,1-2H3,(H,13,14)(H,15,18,19).
What are the key properties of 8-(2-aminoethylamino)-7-methyl-3-propylpurine-2,6-dione?
8-(2-aminoethylamino)-7-methyl-3-propylpurine-2,6-dione has a molecular weight of 266.31 g/mol, XLogP of -0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-aminoethylamino)-7-methyl-3-propylpurine-2,6-dione is sourced from PubChem (CID 82464133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).