7-butyl-8-[2-(dimethylamino)ethylamino]-3-methylpurine-2,6-dione

C14H24N6O2 — CID 663235

IUPAC7-butyl-8-[2-(dimethylamino)ethylamino]-3-methylpurine-2,6-dione
SMILESCCCCn1c(NCCN(C)C)nc2c1c(=O)[nH]c(=O)n2C
InChIInChI=1S/C14H24N6O2/c1-5-6-8-20-10-11(19(4)14(22)17-12(10)21)16-13(20)15-7-9-18(2)3/h5-9H2,1-4H3,(H,15,16)(H,17,21,22)
InChIKeyXEFMMWPTSSNCKI-UHFFFAOYSA-N
MW308.39 g/mol
LogP0.20
Rot. Bonds7

About 7-butyl-8-[2-(dimethylamino)ethylamino]-3-methylpurine-2,6-dione

7-butyl-8-[2-(dimethylamino)ethylamino]-3-methylpurine-2,6-dione (PubChem CID 663235) has the molecular formula C14H24N6O2 and a molecular weight of 308.39 g/mol. Its IUPAC name is 7-butyl-8-[2-(dimethylamino)ethylamino]-3-methylpurine-2,6-dione.

Molecular Properties

Compound Name7-butyl-8-[2-(dimethylamino)ethylamino]-3-methylpurine-2,6-dione
PubChem CID663235
Molecular FormulaC14H24N6O2
Molecular Weight308.39 g/mol
Exact Mass308.20
IUPAC Name7-butyl-8-[2-(dimethylamino)ethylamino]-3-methylpurine-2,6-dione
SMILESCCCCn1c(NCCN(C)C)nc2c1c(=O)[nH]c(=O)n2C
InChIInChI=1S/C14H24N6O2/c1-5-6-8-20-10-11(19(4)14(22)17-12(10)21)16-13(20)15-7-9-18(2)3/h5-9H2,1-4H3,(H,15,16)(H,17,21,22)
InChIKeyXEFMMWPTSSNCKI-UHFFFAOYSA-N
XLogP0.20
TPSA87.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

8-(2-hydroxyethylamino)-3-methyl-7-nonylpurine-2,6-dione
CID 44892318
8-[2-(dimethylamino)ethylamino]-3-methyl-7-propan-2-ylpurine-2,6-dione
CID 3851958
8-(3-methoxypropylamino)-3-methyl-7-pentylpurine-2,6-dione
CID 7025678
8-(3-ethoxypropylamino)-3-methyl-7-pentylpurine-2,6-dione
CID 3392963
3-methyl-7-nonyl-8-(prop-2-enylamino)purine-2,6-dione
CID 3696919
8-(hexylamino)-3-methyl-7-(3-methylbutyl)purine-2,6-dione
CID 3825464
7-[(4-chlorophenyl)methyl]-8-(hexylamino)-3-methylpurine-2,6-dione
CID 3389218
8-[(2Z)-2-butan-2-ylidenehydrazinyl]-7-hexadecyl-3-methylpurine-2,6-dione
CID 6024992
8-(2-butan-2-ylidenehydrazinyl)-7-hexadecyl-3-methylpurine-2,6-dione
CID 4162072
8-(dibutylamino)-7-hexadecyl-3-methylpurine-2,6-dione
CID 3620637
8-(dibutylamino)-7-ethyl-3-methylpurine-2,6-dione
CID 3097484
8-(2-methoxyethylamino)-3-methyl-7-(3-methylbutyl)purine-2,6-dione
CID 5235990

Frequently Asked Questions

What is the IUPAC name of 7-butyl-8-[2-(dimethylamino)ethylamino]-3-methylpurine-2,6-dione?
The IUPAC name of 7-butyl-8-[2-(dimethylamino)ethylamino]-3-methylpurine-2,6-dione (CID 663235) is 7-butyl-8-[2-(dimethylamino)ethylamino]-3-methylpurine-2,6-dione.
What is the SMILES notation for 7-butyl-8-[2-(dimethylamino)ethylamino]-3-methylpurine-2,6-dione?
The canonical SMILES for 7-butyl-8-[2-(dimethylamino)ethylamino]-3-methylpurine-2,6-dione is CCCCn1c(NCCN(C)C)nc2c1c(=O)[nH]c(=O)n2C.
What is the InChIKey of 7-butyl-8-[2-(dimethylamino)ethylamino]-3-methylpurine-2,6-dione?
The InChIKey is XEFMMWPTSSNCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O2/c1-5-6-8-20-10-11(19(4)14(22)17-12(10)21)16-13(20)15-7-9-18(2)3/h5-9H2,1-4H3,(H,15,16)(H,17,21,22).
What are the key properties of 7-butyl-8-[2-(dimethylamino)ethylamino]-3-methylpurine-2,6-dione?
7-butyl-8-[2-(dimethylamino)ethylamino]-3-methylpurine-2,6-dione has a molecular weight of 308.39 g/mol, XLogP of 0.20, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-8-[2-(dimethylamino)ethylamino]-3-methylpurine-2,6-dione is sourced from PubChem (CID 663235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).