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

C24H32N6O3 — CID 16589508

IUPAC1,7-dimethyl-3-(2-morpholin-4-ylethyl)-9-(2-phenylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
SMILESCC1CN(CCc2ccccc2)c2nc3c(c(=O)n(CCN4CCOCC4)c(=O)n3C)n2C1
InChIInChI=1S/C24H32N6O3/c1-18-16-28(9-8-19-6-4-3-5-7-19)23-25-21-20(30(23)17-18)22(31)29(24(32)26(21)2)11-10-27-12-14-33-15-13-27/h3-7,18H,8-17H2,1-2H3
InChIKeyYAUQDHFMVJPQAO-UHFFFAOYSA-N
MW452.56 g/mol
LogP0.93
Rot. Bonds6

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

1,7-dimethyl-3-(2-morpholin-4-ylethyl)-9-(2-phenylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione (PubChem CID 16589508) has the molecular formula C24H32N6O3 and a molecular weight of 452.56 g/mol. Its IUPAC name is 1,7-dimethyl-3-(2-morpholin-4-ylethyl)-9-(2-phenylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,7-dimethyl-3-(2-morpholin-4-ylethyl)-9-(2-phenylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
PubChem CID16589508
Molecular FormulaC24H32N6O3
Molecular Weight452.56 g/mol
Exact Mass452.25
IUPAC Name1,7-dimethyl-3-(2-morpholin-4-ylethyl)-9-(2-phenylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
SMILESCC1CN(CCc2ccccc2)c2nc3c(c(=O)n(CCN4CCOCC4)c(=O)n3C)n2C1
InChIInChI=1S/C24H32N6O3/c1-18-16-28(9-8-19-6-4-3-5-7-19)23-25-21-20(30(23)17-18)22(31)29(24(32)26(21)2)11-10-27-12-14-33-15-13-27/h3-7,18H,8-17H2,1-2H3
InChIKeyYAUQDHFMVJPQAO-UHFFFAOYSA-N
XLogP0.93
TPSA77.53 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1,7-dimethyl-3-(2-morpholin-4-ylethyl)-9-(2-phenylethyl)-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

Related Compounds

(7S)-1,7-dimethyl-9-(2-phenylethyl)-3-(2-piperidin-1-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 40954091
9-benzyl-1,7-dimethyl-3-(2-morpholin-4-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 16604795
(7S)-3-ethyl-1,7-dimethyl-9-(2-phenylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 7081578
(7R)-1,7-dimethyl-9-(2-phenylethyl)-3-(3-phenylpropyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 41003529
1,3,7-trimethyl-9-(2-phenylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 16801380
methyl 2-[(7R)-1,7-dimethyl-2,4-dioxo-9-(2-phenylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate
CID 40537614
(7S)-3-[(2-fluorophenyl)methyl]-1,7-dimethyl-9-(2-phenylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 40984103
(7S)-3-[(2,5-dimethylphenyl)methyl]-1,7-dimethyl-9-(2-phenylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 51455889
(7S)-9-(3,4-dimethylphenyl)-1,7-dimethyl-3-(2-morpholin-4-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 30264072
9-(3-methoxyphenyl)-1,7-dimethyl-3-(2-morpholin-4-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 666914
9-(3,5-dimethylphenyl)-1,7-dimethyl-3-(2-phenylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 3680888
9-benzyl-1,3,7-trimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 3659366

Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-3-(2-morpholin-4-ylethyl)-9-(2-phenylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione?
The IUPAC name of 1,7-dimethyl-3-(2-morpholin-4-ylethyl)-9-(2-phenylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione (CID 16589508) is 1,7-dimethyl-3-(2-morpholin-4-ylethyl)-9-(2-phenylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.
What is the SMILES notation for 1,7-dimethyl-3-(2-morpholin-4-ylethyl)-9-(2-phenylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione?
The canonical SMILES for 1,7-dimethyl-3-(2-morpholin-4-ylethyl)-9-(2-phenylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione is CC1CN(CCc2ccccc2)c2nc3c(c(=O)n(CCN4CCOCC4)c(=O)n3C)n2C1.
What is the InChIKey of 1,7-dimethyl-3-(2-morpholin-4-ylethyl)-9-(2-phenylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione?
The InChIKey is YAUQDHFMVJPQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O3/c1-18-16-28(9-8-19-6-4-3-5-7-19)23-25-21-20(30(23)17-18)22(31)29(24(32)26(21)2)11-10-27-12-14-33-15-13-27/h3-7,18H,8-17H2,1-2H3.
What are the key properties of 1,7-dimethyl-3-(2-morpholin-4-ylethyl)-9-(2-phenylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione?
1,7-dimethyl-3-(2-morpholin-4-ylethyl)-9-(2-phenylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione has a molecular weight of 452.56 g/mol, XLogP of 0.93, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-3-(2-morpholin-4-ylethyl)-9-(2-phenylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione is sourced from PubChem (CID 16589508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).