8-(dimethylamino)-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione

C19H19N5O2 — CID 937274

IUPAC8-(dimethylamino)-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione
SMILESCN(C)c1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc2ccccc12
InChIInChI=1S/C19H19N5O2/c1-22(2)18-20-16-15(17(25)21-19(26)23(16)3)24(18)11-13-9-6-8-12-7-4-5-10-14(12)13/h4-10H,11H2,1-3H3,(H,21,25,26)
InChIKeyKJPVWBVQEPCNID-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.69
Rot. Bonds3

About 8-(dimethylamino)-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione

8-(dimethylamino)-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione (PubChem CID 937274) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 8-(dimethylamino)-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione.

Molecular Properties

Compound Name8-(dimethylamino)-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione
PubChem CID937274
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name8-(dimethylamino)-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione
SMILESCN(C)c1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc2ccccc12
InChIInChI=1S/C19H19N5O2/c1-22(2)18-20-16-15(17(25)21-19(26)23(16)3)24(18)11-13-9-6-8-12-7-4-5-10-14(12)13/h4-10H,11H2,1-3H3,(H,21,25,26)
InChIKeyKJPVWBVQEPCNID-UHFFFAOYSA-N
XLogP1.69
TPSA75.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Bamifylline
CID 16229
Fenethylline
CID 19527
Fenethylline Hydrochloride
CID 102710
HC-030031
CID 1150897
1,3-Diethyl-8-phenylxanthine
CID 1328
8-Benzyl-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
CID 73001
3,9-Dihydro-8-phenyl-1,3-dipropyl-1H-purine-2,6-dione
CID 128784
7-Benzyl-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydropurine-2,6-dione
CID 978607
(E)-8-(3-(Trifluoromethyl)styryl)-1,3-diethyl-7-methylxanthine (6f)
CID 6448933
8-Bromo-3-methyl-7-(1-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
CID 3093800
3-Benzyl-7-ethyl-3,7-dihydro-1H-purine-2,6-dione
CID 3681703
2-({8-[(3R)-3-Aminopiperidin-1-YL]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-YL}methyl)benzonitrile
CID 6914643

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione?
The IUPAC name of 8-(dimethylamino)-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione (CID 937274) is 8-(dimethylamino)-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione.
What is the SMILES notation for 8-(dimethylamino)-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione?
The canonical SMILES for 8-(dimethylamino)-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione is CN(C)c1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc2ccccc12.
What is the InChIKey of 8-(dimethylamino)-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione?
The InChIKey is KJPVWBVQEPCNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-22(2)18-20-16-15(17(25)21-19(26)23(16)3)24(18)11-13-9-6-8-12-7-4-5-10-14(12)13/h4-10H,11H2,1-3H3,(H,21,25,26).
What are the key properties of 8-(dimethylamino)-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione?
8-(dimethylamino)-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione has a molecular weight of 349.39 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione is sourced from PubChem (CID 937274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).