1,3-dimethyl-7-(2-phenylethyl)-8-pyrrolidin-1-ylpurine-2,6-dione

C19H23N5O2 — CID 981029

IUPAC1,3-dimethyl-7-(2-phenylethyl)-8-pyrrolidin-1-ylpurine-2,6-dione
SMILESCn1c(=O)c2c(nc(N3CCCC3)n2CCc2ccccc2)n(C)c1=O
InChIInChI=1S/C19H23N5O2/c1-21-16-15(17(25)22(2)19(21)26)24(13-10-14-8-4-3-5-9-14)18(20-16)23-11-6-7-12-23/h3-5,8-9H,6-7,10-13H2,1-2H3
InChIKeyNLZNCYRTPLFULM-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.28
Rot. Bonds4

About 1,3-dimethyl-7-(2-phenylethyl)-8-pyrrolidin-1-ylpurine-2,6-dione

1,3-dimethyl-7-(2-phenylethyl)-8-pyrrolidin-1-ylpurine-2,6-dione (PubChem CID 981029) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 1,3-dimethyl-7-(2-phenylethyl)-8-pyrrolidin-1-ylpurine-2,6-dione.

Molecular Properties

Compound Name1,3-dimethyl-7-(2-phenylethyl)-8-pyrrolidin-1-ylpurine-2,6-dione
PubChem CID981029
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name1,3-dimethyl-7-(2-phenylethyl)-8-pyrrolidin-1-ylpurine-2,6-dione
SMILESCn1c(=O)c2c(nc(N3CCCC3)n2CCc2ccccc2)n(C)c1=O
InChIInChI=1S/C19H23N5O2/c1-21-16-15(17(25)22(2)19(21)26)24(13-10-14-8-4-3-5-9-14)18(20-16)23-11-6-7-12-23/h3-5,8-9H,6-7,10-13H2,1-2H3
InChIKeyNLZNCYRTPLFULM-UHFFFAOYSA-N
XLogP1.28
TPSA65.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-dimethyl-7-(3-phenoxypropyl)-8-piperidin-1-ylpurine-2,6-dione
CID 30842756
7-benzyl-1,3-dimethyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione
CID 983156
1,3-dimethyl-7-phenacyl-8-piperidin-1-ylpurine-2,6-dione
CID 1036712
7-benzyl-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione
CID 979191
7-benzyl-1,3-dimethyl-8-piperazin-4-ium-1-ylpurine-2,6-dione
CID 4747355
8-(azepan-1-yl)-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione
CID 983107
7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione
CID 1105416
8-(3-aminopiperidin-1-yl)-1-methyl-7-(2-phenylethyl)-3-propylpurine-2,6-dione
CID 174466994
7-(3-aminopropyl)-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione
CID 20846594
3-(1-amino-2-methylpropan-2-yl)-8-(3-aminopiperidin-1-yl)-1-methyl-7-(2-phenylethyl)purine-2,6-dione
CID 174467025
8-(ethylamino)-1,3-dimethyl-7-(2-phenylethyl)purine-2,6-dione
CID 706637
8-(4-benzylpiperazin-1-yl)-7-[(3,4-dichlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
CID 22310557

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-7-(2-phenylethyl)-8-pyrrolidin-1-ylpurine-2,6-dione?
The IUPAC name of 1,3-dimethyl-7-(2-phenylethyl)-8-pyrrolidin-1-ylpurine-2,6-dione (CID 981029) is 1,3-dimethyl-7-(2-phenylethyl)-8-pyrrolidin-1-ylpurine-2,6-dione.
What is the SMILES notation for 1,3-dimethyl-7-(2-phenylethyl)-8-pyrrolidin-1-ylpurine-2,6-dione?
The canonical SMILES for 1,3-dimethyl-7-(2-phenylethyl)-8-pyrrolidin-1-ylpurine-2,6-dione is Cn1c(=O)c2c(nc(N3CCCC3)n2CCc2ccccc2)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-7-(2-phenylethyl)-8-pyrrolidin-1-ylpurine-2,6-dione?
The InChIKey is NLZNCYRTPLFULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-21-16-15(17(25)22(2)19(21)26)24(13-10-14-8-4-3-5-9-14)18(20-16)23-11-6-7-12-23/h3-5,8-9H,6-7,10-13H2,1-2H3.
What are the key properties of 1,3-dimethyl-7-(2-phenylethyl)-8-pyrrolidin-1-ylpurine-2,6-dione?
1,3-dimethyl-7-(2-phenylethyl)-8-pyrrolidin-1-ylpurine-2,6-dione has a molecular weight of 353.43 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-7-(2-phenylethyl)-8-pyrrolidin-1-ylpurine-2,6-dione is sourced from PubChem (CID 981029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).