1,3-dimethyl-8-(methylamino)-7-(naphthalen-1-ylmethyl)purine-2,6-dione

C19H19N5O2 — CID 937090

IUPAC1,3-dimethyl-8-(methylamino)-7-(naphthalen-1-ylmethyl)purine-2,6-dione
SMILESCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc2ccccc12
InChIInChI=1S/C19H19N5O2/c1-20-18-21-16-15(17(25)23(3)19(26)22(16)2)24(18)11-13-9-6-8-12-7-4-5-10-14(12)13/h4-10H,11H2,1-3H3,(H,20,21)
InChIKeyOBSRRULILQPKEK-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.68
Rot. Bonds3

About 1,3-dimethyl-8-(methylamino)-7-(naphthalen-1-ylmethyl)purine-2,6-dione

1,3-dimethyl-8-(methylamino)-7-(naphthalen-1-ylmethyl)purine-2,6-dione (PubChem CID 937090) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 1,3-dimethyl-8-(methylamino)-7-(naphthalen-1-ylmethyl)purine-2,6-dione.

Molecular Properties

Compound Name1,3-dimethyl-8-(methylamino)-7-(naphthalen-1-ylmethyl)purine-2,6-dione
PubChem CID937090
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name1,3-dimethyl-8-(methylamino)-7-(naphthalen-1-ylmethyl)purine-2,6-dione
SMILESCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc2ccccc12
InChIInChI=1S/C19H19N5O2/c1-20-18-21-16-15(17(25)23(3)19(26)22(16)2)24(18)11-13-9-6-8-12-7-4-5-10-14(12)13/h4-10H,11H2,1-3H3,(H,20,21)
InChIKeyOBSRRULILQPKEK-UHFFFAOYSA-N
XLogP1.68
TPSA73.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1,3-dimethyl-8-(methylamino)-7-(naphthalen-1-ylmethyl)purine-2,6-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

8-bromo-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione
CID 23799247
8-butylsulfanyl-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione
CID 3972298
8-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione
CID 136675965
7-ethyl-1,3-dimethyl-8-(methylamino)purine-2,6-dione
CID 719396
1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-(4-pyridin-2-ylpiperazin-1-yl)purine-2,6-dione
CID 1257961
8-[[(2R)-butan-2-yl]amino]-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
CID 987983
7-[(2-bromophenyl)methyl]-8-(cyclohexylamino)-1,3-dimethylpurine-2,6-dione
CID 1277648
7-benzyl-8-hydrazinyl-1,3-dimethylpurine-2,6-dione
CID 839657
1,3-dimethyl-7-(naphthalen-1-ylmethyl)-9H-purine-2,6,8-trione
CID 1081327
8-[3-(1,1-difluoroethyl)phenoxy]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione
CID 121354558
8-(cyclohexylamino)-1,3-dimethyl-7-[(2-phenylphenyl)methyl]purine-2,6-dione
CID 23527110
7-[(2-bromophenyl)methyl]-8-(3-hydroxypropylamino)-1,3-dimethylpurine-2,6-dione
CID 22310552

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-8-(methylamino)-7-(naphthalen-1-ylmethyl)purine-2,6-dione?
The IUPAC name of 1,3-dimethyl-8-(methylamino)-7-(naphthalen-1-ylmethyl)purine-2,6-dione (CID 937090) is 1,3-dimethyl-8-(methylamino)-7-(naphthalen-1-ylmethyl)purine-2,6-dione.
What is the SMILES notation for 1,3-dimethyl-8-(methylamino)-7-(naphthalen-1-ylmethyl)purine-2,6-dione?
The canonical SMILES for 1,3-dimethyl-8-(methylamino)-7-(naphthalen-1-ylmethyl)purine-2,6-dione is CNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc2ccccc12.
What is the InChIKey of 1,3-dimethyl-8-(methylamino)-7-(naphthalen-1-ylmethyl)purine-2,6-dione?
The InChIKey is OBSRRULILQPKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-20-18-21-16-15(17(25)23(3)19(26)22(16)2)24(18)11-13-9-6-8-12-7-4-5-10-14(12)13/h4-10H,11H2,1-3H3,(H,20,21).
What are the key properties of 1,3-dimethyl-8-(methylamino)-7-(naphthalen-1-ylmethyl)purine-2,6-dione?
1,3-dimethyl-8-(methylamino)-7-(naphthalen-1-ylmethyl)purine-2,6-dione has a molecular weight of 349.39 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-8-(methylamino)-7-(naphthalen-1-ylmethyl)purine-2,6-dione is sourced from PubChem (CID 937090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).