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

C16H20N6O2 — CID 155537001

IUPAC1,3-dimethyl-8-(2-pyrrol-1-ylethyl)-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione
SMILESCn1c(=O)c2c(nc3n2CCN(CCn2cccc2)C3)n(C)c1=O
InChIInChI=1S/C16H20N6O2/c1-18-14-13(15(23)19(2)16(18)24)22-10-9-21(11-12(22)17-14)8-7-20-5-3-4-6-20/h3-6H,7-11H2,1-2H3
InChIKeyNSQNWVPBSQYBSI-UHFFFAOYSA-N
MW328.38 g/mol
LogP-0.25
Rot. Bonds3

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

1,3-dimethyl-8-(2-pyrrol-1-ylethyl)-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione (PubChem CID 155537001) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 1,3-dimethyl-8-(2-pyrrol-1-ylethyl)-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-8-(2-pyrrol-1-ylethyl)-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione
PubChem CID155537001
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name1,3-dimethyl-8-(2-pyrrol-1-ylethyl)-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione
SMILESCn1c(=O)c2c(nc3n2CCN(CCn2cccc2)C3)n(C)c1=O
InChIInChI=1S/C16H20N6O2/c1-18-14-13(15(23)19(2)16(18)24)22-10-9-21(11-12(22)17-14)8-7-20-5-3-4-6-20/h3-6H,7-11H2,1-2H3
InChIKeyNSQNWVPBSQYBSI-UHFFFAOYSA-N
XLogP-0.25
TPSA69.99 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1,3-dimethyl-8-(2-pyrrol-1-ylethyl)-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

3-Butyl-7-ethyl-8-pyridin-2-ylpurine-2,6-dione
CID 9464177
8-(1-Methyl-1H-pyrrol-2-yl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione
CID 15750273
1,3-dimethyl-8-(3-pyrrol-1-ylpropyl)-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione
CID 155520663
8-(3-imidazol-1-ylpropyl)-1,3-dimethyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione
CID 155540193
7-ethyl-1,3-dimethyl-8-[(pyridin-2-ylmethyl)amino]-3,7-dihydro-1H-purine-2,6-dione
CID 663453
1-Methyl-3-propyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione
CID 11747281
1,3-dimethyl-9-(pyridin-2-ylmethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 44437466
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-(methyl(3-pyridinylmethyl)amino)ethyl)-, monohydrochloride
CID 3039349
Imidazo(2,1-f)purine-2,4-dione, 1,2,3,4-tetrahydro-1,3-dimethyl-8-isopropyl-7-(2-piperidinoethyl)-, hydrochloride
CID 3057437
1,3-dimethyl-9-(2-(pyridin-2-yl)ethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]purine-2,4(1H,3H)-dione
CID 44437219
[3-(2-Ethylimidazol-1-yl)piperidin-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 56779731
(4-(6-Methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl)piperazin-1-yl)(pyrazin-2-yl)methanone
CID 121090342

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-8-(2-pyrrol-1-ylethyl)-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione?
The IUPAC name of 1,3-dimethyl-8-(2-pyrrol-1-ylethyl)-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione (CID 155537001) is 1,3-dimethyl-8-(2-pyrrol-1-ylethyl)-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-8-(2-pyrrol-1-ylethyl)-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-8-(2-pyrrol-1-ylethyl)-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione is Cn1c(=O)c2c(nc3n2CCN(CCn2cccc2)C3)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-8-(2-pyrrol-1-ylethyl)-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione?
The InChIKey is NSQNWVPBSQYBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-18-14-13(15(23)19(2)16(18)24)22-10-9-21(11-12(22)17-14)8-7-20-5-3-4-6-20/h3-6H,7-11H2,1-2H3.
What are the key properties of 1,3-dimethyl-8-(2-pyrrol-1-ylethyl)-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione?
1,3-dimethyl-8-(2-pyrrol-1-ylethyl)-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione has a molecular weight of 328.38 g/mol, XLogP of -0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-8-(2-pyrrol-1-ylethyl)-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione is sourced from PubChem (CID 155537001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).