8-[(dipropylamino)methyl]-7-ethyl-3-methylpurine-2,6-dione

C15H25N5O2 — CID 7137080

IUPAC8-[(dipropylamino)methyl]-7-ethyl-3-methylpurine-2,6-dione
SMILESCCCN(CCC)Cc1nc2c(c(=O)[nH]c(=O)n2C)n1CC
InChIInChI=1S/C15H25N5O2/c1-5-8-19(9-6-2)10-11-16-13-12(20(11)7-3)14(21)17-15(22)18(13)4/h5-10H2,1-4H3,(H,17,21,22)
InChIKeyBBBTVFXETZLMLK-UHFFFAOYSA-N
MW307.40 g/mol
LogP1.07
Rot. Bonds7

About 8-[(dipropylamino)methyl]-7-ethyl-3-methylpurine-2,6-dione

8-[(dipropylamino)methyl]-7-ethyl-3-methylpurine-2,6-dione (PubChem CID 7137080) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 8-[(dipropylamino)methyl]-7-ethyl-3-methylpurine-2,6-dione.

Molecular Properties

Compound Name8-[(dipropylamino)methyl]-7-ethyl-3-methylpurine-2,6-dione
PubChem CID7137080
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name8-[(dipropylamino)methyl]-7-ethyl-3-methylpurine-2,6-dione
SMILESCCCN(CCC)Cc1nc2c(c(=O)[nH]c(=O)n2C)n1CC
InChIInChI=1S/C15H25N5O2/c1-5-8-19(9-6-2)10-11-16-13-12(20(11)7-3)14(21)17-15(22)18(13)4/h5-10H2,1-4H3,(H,17,21,22)
InChIKeyBBBTVFXETZLMLK-UHFFFAOYSA-N
XLogP1.07
TPSA75.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-[(dipropylamino)methyl]-7-(2-ethoxyethyl)-3-methylpurine-2,6-dione
CID 7137206
7-[(2-chloro-6-fluorophenyl)methyl]-8-[(dipropylamino)methyl]-3-methylpurine-2,6-dione
CID 7137168
8-(dipentylamino)-7-ethyl-3-methylpurine-2,6-dione
CID 3097485
ethyl (2R)-2-[8-[(dipropylamino)methyl]-3-methyl-2,6-dioxopurin-7-yl]-3-oxobutanoate
CID 7137268
8-(dibutylamino)-7-ethyl-3-methylpurine-2,6-dione
CID 3097484
methyl 2-[8-[[butyl(ethyl)amino]methyl]-3-methyl-2,6-dioxopurin-7-yl]acetate
CID 7137212
3-methyl-7-(2-methylpropyl)-8-propylpurine-2,6-dione
CID 123864477
7-ethyl-3-methyl-8-(2-piperazin-1-ylethyl)purine-2,6-dione
CID 82463977
7-ethyl-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione
CID 677004
8-[(dibenzylamino)methyl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione
CID 4974402
8-(dibutylamino)-7-hexadecyl-3-methylpurine-2,6-dione
CID 3620637
8-bromo-3-methyl-7-propylpurine-2,6-dione
CID 747357

Frequently Asked Questions

What is the IUPAC name of 8-[(dipropylamino)methyl]-7-ethyl-3-methylpurine-2,6-dione?
The IUPAC name of 8-[(dipropylamino)methyl]-7-ethyl-3-methylpurine-2,6-dione (CID 7137080) is 8-[(dipropylamino)methyl]-7-ethyl-3-methylpurine-2,6-dione.
What is the SMILES notation for 8-[(dipropylamino)methyl]-7-ethyl-3-methylpurine-2,6-dione?
The canonical SMILES for 8-[(dipropylamino)methyl]-7-ethyl-3-methylpurine-2,6-dione is CCCN(CCC)Cc1nc2c(c(=O)[nH]c(=O)n2C)n1CC.
What is the InChIKey of 8-[(dipropylamino)methyl]-7-ethyl-3-methylpurine-2,6-dione?
The InChIKey is BBBTVFXETZLMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-5-8-19(9-6-2)10-11-16-13-12(20(11)7-3)14(21)17-15(22)18(13)4/h5-10H2,1-4H3,(H,17,21,22).
What are the key properties of 8-[(dipropylamino)methyl]-7-ethyl-3-methylpurine-2,6-dione?
8-[(dipropylamino)methyl]-7-ethyl-3-methylpurine-2,6-dione has a molecular weight of 307.40 g/mol, XLogP of 1.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(dipropylamino)methyl]-7-ethyl-3-methylpurine-2,6-dione is sourced from PubChem (CID 7137080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).