8-(dimethylamino)-3-methyl-7-pentyl-4,5-dihydropurine-2,6-dione

C13H23N5O2 — CID 78303009

IUPAC8-(dimethylamino)-3-methyl-7-pentyl-4,5-dihydropurine-2,6-dione
SMILESCCCCCN1C(N(C)C)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C13H23N5O2/c1-5-6-7-8-18-9-10(14-12(18)16(2)3)17(4)13(20)15-11(9)19/h9-10H,5-8H2,1-4H3,(H,15,19,20)
InChIKeyCVQOEYHJTQIFAD-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.29
Rot. Bonds4

About 8-(dimethylamino)-3-methyl-7-pentyl-4,5-dihydropurine-2,6-dione

8-(dimethylamino)-3-methyl-7-pentyl-4,5-dihydropurine-2,6-dione (PubChem CID 78303009) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 8-(dimethylamino)-3-methyl-7-pentyl-4,5-dihydropurine-2,6-dione.

Molecular Properties

Compound Name8-(dimethylamino)-3-methyl-7-pentyl-4,5-dihydropurine-2,6-dione
PubChem CID78303009
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name8-(dimethylamino)-3-methyl-7-pentyl-4,5-dihydropurine-2,6-dione
SMILESCCCCCN1C(N(C)C)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C13H23N5O2/c1-5-6-7-8-18-9-10(14-12(18)16(2)3)17(4)13(20)15-11(9)19/h9-10H,5-8H2,1-4H3,(H,15,19,20)
InChIKeyCVQOEYHJTQIFAD-UHFFFAOYSA-N
XLogP0.29
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-butyl-8-(dimethylamino)-3-methyl-4,5-dihydropurine-2,6-dione
CID 78303122
8-(dimethylamino)-3-methyl-7-(3-phenylpropyl)-4,5-dihydropurine-2,6-dione
CID 78203714
8-ethylsulfanyl-3-methyl-7-pentyl-4,5-dihydropurine-2,6-dione
CID 78302970
3-methyl-7-pentyl-8-propylsulfanyl-4,5-dihydropurine-2,6-dione
CID 78302971
8-butylsulfanyl-7-decyl-3-methyl-4,5-dihydropurine-2,6-dione
CID 78303715
8-butylsulfanyl-7-hexadecyl-3-methyl-4,5-dihydropurine-2,6-dione
CID 78334732
8-(3-hydroxypropylsulfanyl)-3-methyl-7-pentyl-4,5-dihydropurine-2,6-dione
CID 78304619
3-methyl-7-nonyl-8-(2-oxopropylsulfanyl)-4,5-dihydropurine-2,6-dione
CID 78303578
3-methyl-7-pentyl-8-piperazin-1-yl-4,5-dihydropurine-2,6-dione
CID 78302977
3-methyl-8-(2-methylprop-2-enylsulfanyl)-7-pentyl-4,5-dihydropurine-2,6-dione
CID 78304342
3-methyl-7-octyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione
CID 78303083
7-heptyl-3-methyl-8-(2-methylpropylsulfanyl)-4,5-dihydropurine-2,6-dione
CID 78303689

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-methyl-7-pentyl-4,5-dihydropurine-2,6-dione?
The IUPAC name of 8-(dimethylamino)-3-methyl-7-pentyl-4,5-dihydropurine-2,6-dione (CID 78303009) is 8-(dimethylamino)-3-methyl-7-pentyl-4,5-dihydropurine-2,6-dione.
What is the SMILES notation for 8-(dimethylamino)-3-methyl-7-pentyl-4,5-dihydropurine-2,6-dione?
The canonical SMILES for 8-(dimethylamino)-3-methyl-7-pentyl-4,5-dihydropurine-2,6-dione is CCCCCN1C(N(C)C)=NC2C1C(=O)NC(=O)N2C.
What is the InChIKey of 8-(dimethylamino)-3-methyl-7-pentyl-4,5-dihydropurine-2,6-dione?
The InChIKey is CVQOEYHJTQIFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-5-6-7-8-18-9-10(14-12(18)16(2)3)17(4)13(20)15-11(9)19/h9-10H,5-8H2,1-4H3,(H,15,19,20).
What are the key properties of 8-(dimethylamino)-3-methyl-7-pentyl-4,5-dihydropurine-2,6-dione?
8-(dimethylamino)-3-methyl-7-pentyl-4,5-dihydropurine-2,6-dione has a molecular weight of 281.36 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-3-methyl-7-pentyl-4,5-dihydropurine-2,6-dione is sourced from PubChem (CID 78303009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).