7-ethyl-3,8-dimethyl-1-(pyrrolidin-2-ylmethyl)purine-2,6-dione

C14H21N5O2 — CID 82466474

IUPAC7-ethyl-3,8-dimethyl-1-(pyrrolidin-2-ylmethyl)purine-2,6-dione
SMILESCCn1c(C)nc2c1c(=O)n(CC1CCCN1)c(=O)n2C
InChIInChI=1S/C14H21N5O2/c1-4-18-9(2)16-12-11(18)13(20)19(14(21)17(12)3)8-10-6-5-7-15-10/h10,15H,4-8H2,1-3H3
InChIKeyGWIFCVHEJNCXKI-UHFFFAOYSA-N
MW291.35 g/mol
LogP-0.02
Rot. Bonds3

About 7-ethyl-3,8-dimethyl-1-(pyrrolidin-2-ylmethyl)purine-2,6-dione

7-ethyl-3,8-dimethyl-1-(pyrrolidin-2-ylmethyl)purine-2,6-dione (PubChem CID 82466474) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 7-ethyl-3,8-dimethyl-1-(pyrrolidin-2-ylmethyl)purine-2,6-dione.

Molecular Properties

Compound Name7-ethyl-3,8-dimethyl-1-(pyrrolidin-2-ylmethyl)purine-2,6-dione
PubChem CID82466474
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name7-ethyl-3,8-dimethyl-1-(pyrrolidin-2-ylmethyl)purine-2,6-dione
SMILESCCn1c(C)nc2c1c(=O)n(CC1CCCN1)c(=O)n2C
InChIInChI=1S/C14H21N5O2/c1-4-18-9(2)16-12-11(18)13(20)19(14(21)17(12)3)8-10-6-5-7-15-10/h10,15H,4-8H2,1-3H3
InChIKeyGWIFCVHEJNCXKI-UHFFFAOYSA-N
XLogP-0.02
TPSA73.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-ethyl-3,8-dimethyl-1-(pyrrolidin-2-ylmethyl)purine-2,6-dione with MolForge

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Related Compounds

7-methyl-3-propyl-1-(pyrrolidin-2-ylmethyl)purine-2,6-dione
CID 82466277
1-(2-amino-2-methylpropyl)-7-ethyl-3,8-dimethylpurine-2,6-dione
CID 82466472
3-(7-ethyl-3,8-dimethyl-2,6-dioxopurin-1-yl)propanenitrile
CID 51058636
7-ethyl-1,3,8-trimethylpurine-2,6-dione;N-methylmethanamine
CID 20562628
1,8-dimethyl-3-(piperidin-2-ylmethyl)quinazoline-2,4-dione
CID 117263187
3-butan-2-yl-7-methyl-1-(pyrrolidin-2-ylmethyl)purine-2,6-dione
CID 82466380
6-methoxy-1-methyl-3-(pyrrolidin-2-ylmethyl)quinazoline-2,4-dione
CID 117262520
2-methyl-1-[[(2R)-pyrrolidin-2-yl]methyl]-4,5,6,7-tetrahydrobenzimidazole
CID 102819887
1-(1-aminopropan-2-yl)-7-ethyl-3,8-dimethylpurine-2,6-dione
CID 82466471
8-amino-1,7-diethyl-3-methylpurine-2,6-dione
CID 82464399
1,7-diethyl-3-methyl-2,6-dioxopurine-8-carboxylic acid
CID 82464410
1-ethyl-7-methyl-3-propan-2-yl-8-pyrrolidin-2-ylpurine-2,6-dione
CID 82464563

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3,8-dimethyl-1-(pyrrolidin-2-ylmethyl)purine-2,6-dione?
The IUPAC name of 7-ethyl-3,8-dimethyl-1-(pyrrolidin-2-ylmethyl)purine-2,6-dione (CID 82466474) is 7-ethyl-3,8-dimethyl-1-(pyrrolidin-2-ylmethyl)purine-2,6-dione.
What is the SMILES notation for 7-ethyl-3,8-dimethyl-1-(pyrrolidin-2-ylmethyl)purine-2,6-dione?
The canonical SMILES for 7-ethyl-3,8-dimethyl-1-(pyrrolidin-2-ylmethyl)purine-2,6-dione is CCn1c(C)nc2c1c(=O)n(CC1CCCN1)c(=O)n2C.
What is the InChIKey of 7-ethyl-3,8-dimethyl-1-(pyrrolidin-2-ylmethyl)purine-2,6-dione?
The InChIKey is GWIFCVHEJNCXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-4-18-9(2)16-12-11(18)13(20)19(14(21)17(12)3)8-10-6-5-7-15-10/h10,15H,4-8H2,1-3H3.
What are the key properties of 7-ethyl-3,8-dimethyl-1-(pyrrolidin-2-ylmethyl)purine-2,6-dione?
7-ethyl-3,8-dimethyl-1-(pyrrolidin-2-ylmethyl)purine-2,6-dione has a molecular weight of 291.35 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3,8-dimethyl-1-(pyrrolidin-2-ylmethyl)purine-2,6-dione is sourced from PubChem (CID 82466474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).