3-methyl-8-morpholin-4-yl-7-pentyl-4,5-dihydropurine-2,6-dione

C15H25N5O3 — CID 78302969

IUPAC3-methyl-8-morpholin-4-yl-7-pentyl-4,5-dihydropurine-2,6-dione
SMILESCCCCCN1C(N2CCOCC2)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C15H25N5O3/c1-3-4-5-6-20-11-12(18(2)15(22)17-13(11)21)16-14(20)19-7-9-23-10-8-19/h11-12H,3-10H2,1-2H3,(H,17,21,22)
InChIKeyDXSSNGUINYPGAR-UHFFFAOYSA-N
MW323.40 g/mol
LogP0.06
Rot. Bonds4

About 3-methyl-8-morpholin-4-yl-7-pentyl-4,5-dihydropurine-2,6-dione

3-methyl-8-morpholin-4-yl-7-pentyl-4,5-dihydropurine-2,6-dione (PubChem CID 78302969) has the molecular formula C15H25N5O3 and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-methyl-8-morpholin-4-yl-7-pentyl-4,5-dihydropurine-2,6-dione.

Molecular Properties

Compound Name3-methyl-8-morpholin-4-yl-7-pentyl-4,5-dihydropurine-2,6-dione
PubChem CID78302969
Molecular FormulaC15H25N5O3
Molecular Weight323.40 g/mol
Exact Mass323.20
IUPAC Name3-methyl-8-morpholin-4-yl-7-pentyl-4,5-dihydropurine-2,6-dione
SMILESCCCCCN1C(N2CCOCC2)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C15H25N5O3/c1-3-4-5-6-20-11-12(18(2)15(22)17-13(11)21)16-14(20)19-7-9-23-10-8-19/h11-12H,3-10H2,1-2H3,(H,17,21,22)
InChIKeyDXSSNGUINYPGAR-UHFFFAOYSA-N
XLogP0.06
TPSA77.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-methyl-8-morpholin-4-yl-7-pentyl-4,5-dihydropurine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-hexadecyl-3-methyl-8-morpholin-4-yl-4,5-dihydropurine-2,6-dione
CID 78303401
3-methyl-7-pentyl-8-piperazin-1-yl-4,5-dihydropurine-2,6-dione
CID 78302977
7-dodecyl-3-methyl-8-(4-methylpiperazin-1-yl)-4,5-dihydropurine-2,6-dione
CID 45053494
3-methyl-7-octyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione
CID 78303083
8-(4-ethylpiperazin-1-yl)-3-methyl-7-pentyl-4,5-dihydropurine-2,6-dione
CID 78379500
7-[(E)-but-2-enyl]-3-methyl-8-morpholin-4-yl-4,5-dihydropurine-2,6-dione
CID 167999060
2-[4-(7-hexyl-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl)piperazin-1-yl]acetamide
CID 73282258
7-butyl-3-methyl-8-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-4,5-dihydropurine-2,6-dione
CID 73327360
8-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-7-pentyl-4,5-dihydropurine-2,6-dione
CID 73329021
8-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-7-hexyl-3-methyl-4,5-dihydropurine-2,6-dione
CID 73329024
8-(dimethylamino)-3-methyl-7-pentyl-4,5-dihydropurine-2,6-dione
CID 78303009
8-ethylsulfanyl-3-methyl-7-pentyl-4,5-dihydropurine-2,6-dione
CID 78302970

Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-morpholin-4-yl-7-pentyl-4,5-dihydropurine-2,6-dione?
The IUPAC name of 3-methyl-8-morpholin-4-yl-7-pentyl-4,5-dihydropurine-2,6-dione (CID 78302969) is 3-methyl-8-morpholin-4-yl-7-pentyl-4,5-dihydropurine-2,6-dione.
What is the SMILES notation for 3-methyl-8-morpholin-4-yl-7-pentyl-4,5-dihydropurine-2,6-dione?
The canonical SMILES for 3-methyl-8-morpholin-4-yl-7-pentyl-4,5-dihydropurine-2,6-dione is CCCCCN1C(N2CCOCC2)=NC2C1C(=O)NC(=O)N2C.
What is the InChIKey of 3-methyl-8-morpholin-4-yl-7-pentyl-4,5-dihydropurine-2,6-dione?
The InChIKey is DXSSNGUINYPGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O3/c1-3-4-5-6-20-11-12(18(2)15(22)17-13(11)21)16-14(20)19-7-9-23-10-8-19/h11-12H,3-10H2,1-2H3,(H,17,21,22).
What are the key properties of 3-methyl-8-morpholin-4-yl-7-pentyl-4,5-dihydropurine-2,6-dione?
3-methyl-8-morpholin-4-yl-7-pentyl-4,5-dihydropurine-2,6-dione has a molecular weight of 323.40 g/mol, XLogP of 0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-morpholin-4-yl-7-pentyl-4,5-dihydropurine-2,6-dione is sourced from PubChem (CID 78302969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).