1,3-dimethyl-9-[2-[4-(2-morpholin-4-ylethoxy)phenyl]ethyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

C24H32N6O4 — CID 127043661

IUPAC1,3-dimethyl-9-[2-[4-(2-morpholin-4-ylethoxy)phenyl]ethyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCCN3CCOCC3)cc2)n(C)c1=O
InChIInChI=1S/C24H32N6O4/c1-26-21-20(22(31)27(2)24(26)32)30-10-3-9-29(23(30)25-21)11-8-18-4-6-19(7-5-18)34-17-14-28-12-15-33-16-13-28/h4-7H,3,8-17H2,1-2H3
InChIKeyLFSKETIRSPWSCK-UHFFFAOYSA-N
MW468.56 g/mol
LogP0.60
Rot. Bonds7

About 1,3-dimethyl-9-[2-[4-(2-morpholin-4-ylethoxy)phenyl]ethyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

1,3-dimethyl-9-[2-[4-(2-morpholin-4-ylethoxy)phenyl]ethyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione (PubChem CID 127043661) has the molecular formula C24H32N6O4 and a molecular weight of 468.56 g/mol. Its IUPAC name is 1,3-dimethyl-9-[2-[4-(2-morpholin-4-ylethoxy)phenyl]ethyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-9-[2-[4-(2-morpholin-4-ylethoxy)phenyl]ethyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
PubChem CID127043661
Molecular FormulaC24H32N6O4
Molecular Weight468.56 g/mol
Exact Mass468.25
IUPAC Name1,3-dimethyl-9-[2-[4-(2-morpholin-4-ylethoxy)phenyl]ethyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCCN3CCOCC3)cc2)n(C)c1=O
InChIInChI=1S/C24H32N6O4/c1-26-21-20(22(31)27(2)24(26)32)30-10-3-9-29(23(30)25-21)11-8-18-4-6-19(7-5-18)34-17-14-28-12-15-33-16-13-28/h4-7H,3,8-17H2,1-2H3
InChIKeyLFSKETIRSPWSCK-UHFFFAOYSA-N
XLogP0.60
TPSA86.76 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1,3-dimethyl-9-[2-[4-(2-morpholin-4-ylethoxy)phenyl]ethyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-9-[2-[4-(2-morpholin-4-ylethoxy)phenyl]ethyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-9-[2-[4-(2-morpholin-4-ylethoxy)phenyl]ethyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione (CID 127043661) is 1,3-dimethyl-9-[2-[4-(2-morpholin-4-ylethoxy)phenyl]ethyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-9-[2-[4-(2-morpholin-4-ylethoxy)phenyl]ethyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-9-[2-[4-(2-morpholin-4-ylethoxy)phenyl]ethyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione is Cn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCCN3CCOCC3)cc2)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-9-[2-[4-(2-morpholin-4-ylethoxy)phenyl]ethyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione?
The InChIKey is LFSKETIRSPWSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O4/c1-26-21-20(22(31)27(2)24(26)32)30-10-3-9-29(23(30)25-21)11-8-18-4-6-19(7-5-18)34-17-14-28-12-15-33-16-13-28/h4-7H,3,8-17H2,1-2H3.
What are the key properties of 1,3-dimethyl-9-[2-[4-(2-morpholin-4-ylethoxy)phenyl]ethyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione?
1,3-dimethyl-9-[2-[4-(2-morpholin-4-ylethoxy)phenyl]ethyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione has a molecular weight of 468.56 g/mol, XLogP of 0.60, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-9-[2-[4-(2-morpholin-4-ylethoxy)phenyl]ethyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione is sourced from PubChem (CID 127043661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).