7-benzyl-1,3-dimethyl-8-morpholin-4-yl-4,5-dihydropurine-2,6-dione

C18H23N5O3 — CID 78212382

IUPAC7-benzyl-1,3-dimethyl-8-morpholin-4-yl-4,5-dihydropurine-2,6-dione
SMILESCN1C(=O)C2C(N=C(N3CCOCC3)N2Cc2ccccc2)N(C)C1=O
InChIInChI=1S/C18H23N5O3/c1-20-15-14(16(24)21(2)18(20)25)23(12-13-6-4-3-5-7-13)17(19-15)22-8-10-26-11-9-22/h3-7,14-15H,8-12H2,1-2H3
InChIKeySVEQXTMFJUBICM-UHFFFAOYSA-N
MW357.41 g/mol
LogP0.41
Rot. Bonds2

About 7-benzyl-1,3-dimethyl-8-morpholin-4-yl-4,5-dihydropurine-2,6-dione

7-benzyl-1,3-dimethyl-8-morpholin-4-yl-4,5-dihydropurine-2,6-dione (PubChem CID 78212382) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 7-benzyl-1,3-dimethyl-8-morpholin-4-yl-4,5-dihydropurine-2,6-dione.

Molecular Properties

Compound Name7-benzyl-1,3-dimethyl-8-morpholin-4-yl-4,5-dihydropurine-2,6-dione
PubChem CID78212382
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name7-benzyl-1,3-dimethyl-8-morpholin-4-yl-4,5-dihydropurine-2,6-dione
SMILESCN1C(=O)C2C(N=C(N3CCOCC3)N2Cc2ccccc2)N(C)C1=O
InChIInChI=1S/C18H23N5O3/c1-20-15-14(16(24)21(2)18(20)25)23(12-13-6-4-3-5-7-13)17(19-15)22-8-10-26-11-9-22/h3-7,14-15H,8-12H2,1-2H3
InChIKeySVEQXTMFJUBICM-UHFFFAOYSA-N
XLogP0.41
TPSA68.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,7-dibenzyl-3-methyl-8-pyrrolidin-1-yl-4,5-dihydropurine-2,6-dione
CID 78212628
1,3-dimethyl-8-(4-phenylpiperazin-1-yl)-7-(3-phenylpropyl)-4,5-dihydropurine-2,6-dione
CID 78202606
1,3-dimethyl-8-(morpholin-4-ylmethyl)-7-(2-phenylethyl)-4,5-dihydropurine-2,6-dione
CID 74688806
7-benzyl-8-chloro-1,3-dimethyl-4,5-dihydropurine-2,6-dione
CID 78170191
7-benzyl-8-benzylsulfanyl-1,3-dimethyl-4,5-dihydropurine-2,6-dione
CID 78212373
8-[(4-benzylpiperazin-1-yl)methyl]-1,3-dimethyl-7-(2-phenylethyl)-4,5-dihydropurine-2,6-dione
CID 74570654
1,3-dimethyl-7-(3-phenoxypropyl)-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione
CID 74609724
1-benzyl-3,7-dimethyl-8-(4-phenylpiperazin-1-yl)-4,5-dihydropurine-2,6-dione
CID 73328925
7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-(4-benzylpiperazin-1-yl)-1,3-dimethyl-4,5-dihydropurine-2,6-dione
CID 78378511
6-benzyl-4,7-dimethyl-2-(2-morpholin-4-ylethyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 78369230
7-benzyl-3-methyl-8-(4-propylpiperazin-1-yl)-4,5-dihydropurine-2,6-dione
CID 74688180
8-(azepan-1-yl)-1,3-dimethyl-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]-4,5-dihydropurine-2,6-dione
CID 78325772

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-1,3-dimethyl-8-morpholin-4-yl-4,5-dihydropurine-2,6-dione?
The IUPAC name of 7-benzyl-1,3-dimethyl-8-morpholin-4-yl-4,5-dihydropurine-2,6-dione (CID 78212382) is 7-benzyl-1,3-dimethyl-8-morpholin-4-yl-4,5-dihydropurine-2,6-dione.
What is the SMILES notation for 7-benzyl-1,3-dimethyl-8-morpholin-4-yl-4,5-dihydropurine-2,6-dione?
The canonical SMILES for 7-benzyl-1,3-dimethyl-8-morpholin-4-yl-4,5-dihydropurine-2,6-dione is CN1C(=O)C2C(N=C(N3CCOCC3)N2Cc2ccccc2)N(C)C1=O.
What is the InChIKey of 7-benzyl-1,3-dimethyl-8-morpholin-4-yl-4,5-dihydropurine-2,6-dione?
The InChIKey is SVEQXTMFJUBICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-20-15-14(16(24)21(2)18(20)25)23(12-13-6-4-3-5-7-13)17(19-15)22-8-10-26-11-9-22/h3-7,14-15H,8-12H2,1-2H3.
What are the key properties of 7-benzyl-1,3-dimethyl-8-morpholin-4-yl-4,5-dihydropurine-2,6-dione?
7-benzyl-1,3-dimethyl-8-morpholin-4-yl-4,5-dihydropurine-2,6-dione has a molecular weight of 357.41 g/mol, XLogP of 0.41, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-1,3-dimethyl-8-morpholin-4-yl-4,5-dihydropurine-2,6-dione is sourced from PubChem (CID 78212382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).