1,3,7-trimethyl-8-(methylaminomethyl)purine-2,6-dione

C10H15N5O2 — CID 82463865

IUPAC1,3,7-trimethyl-8-(methylaminomethyl)purine-2,6-dione
SMILESCNCc1nc2c(c(=O)n(C)c(=O)n2C)n1C
InChIInChI=1S/C10H15N5O2/c1-11-5-6-12-8-7(13(6)2)9(16)15(4)10(17)14(8)3/h11H,5H2,1-4H3
InChIKeyXPILJTGIBBZCPG-UHFFFAOYSA-N
MW237.26 g/mol
LogP-1.31
Rot. Bonds2

About 1,3,7-trimethyl-8-(methylaminomethyl)purine-2,6-dione

1,3,7-trimethyl-8-(methylaminomethyl)purine-2,6-dione (PubChem CID 82463865) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1,3,7-trimethyl-8-(methylaminomethyl)purine-2,6-dione.

Molecular Properties

Compound Name1,3,7-trimethyl-8-(methylaminomethyl)purine-2,6-dione
PubChem CID82463865
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name1,3,7-trimethyl-8-(methylaminomethyl)purine-2,6-dione
SMILESCNCc1nc2c(c(=O)n(C)c(=O)n2C)n1C
InChIInChI=1S/C10H15N5O2/c1-11-5-6-12-8-7(13(6)2)9(16)15(4)10(17)14(8)3/h11H,5H2,1-4H3
InChIKeyXPILJTGIBBZCPG-UHFFFAOYSA-N
XLogP-1.31
TPSA73.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-1.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-ethyl-7-methyl-8-(methylaminomethyl)-3-propan-2-ylpurine-2,6-dione
CID 82464569
methyl 2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)acetate
CID 14261748
1,7-diethyl-3-methyl-8-(methylaminomethyl)purine-2,6-dione
CID 82464413
1-ethyl-3-(2-methoxyethyl)-7-methyl-8-(methylaminomethyl)purine-2,6-dione
CID 82465054
8-[(3,4-dihydroxyphenyl)methyl]-1,3,7-trimethylpurine-2,6-dione
CID 70429632
(1,3,7-trimethyl-2,6-dioxopurin-8-yl)-λ2-plumbane
CID 173012606
1,3,7-trimethyl-8-[(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylmethylsulfanyl]purine-2,6-dione
CID 3573251
7-ethyl-1,3,8-trimethylpurine-2,6-dione;N-methylmethanamine
CID 20562628
7-ethyl-1,3-dimethyl-8-(methylamino)purine-2,6-dione
CID 719396
8-[(4-chlorophenoxy)methyl]-1,3,7-trimethylpurine-2,6-dione
CID 70693293
8-[[(2S)-butan-2-yl]amino]-1,3,7-trimethylpurine-2,6-dione
CID 40535568
ethyl 2-[(1,3,7-trimethyl-2,6-dioxopurin-8-yl)methyl]prop-2-enoate
CID 58526534

Frequently Asked Questions

What is the IUPAC name of 1,3,7-trimethyl-8-(methylaminomethyl)purine-2,6-dione?
The IUPAC name of 1,3,7-trimethyl-8-(methylaminomethyl)purine-2,6-dione (CID 82463865) is 1,3,7-trimethyl-8-(methylaminomethyl)purine-2,6-dione.
What is the SMILES notation for 1,3,7-trimethyl-8-(methylaminomethyl)purine-2,6-dione?
The canonical SMILES for 1,3,7-trimethyl-8-(methylaminomethyl)purine-2,6-dione is CNCc1nc2c(c(=O)n(C)c(=O)n2C)n1C.
What is the InChIKey of 1,3,7-trimethyl-8-(methylaminomethyl)purine-2,6-dione?
The InChIKey is XPILJTGIBBZCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-11-5-6-12-8-7(13(6)2)9(16)15(4)10(17)14(8)3/h11H,5H2,1-4H3.
What are the key properties of 1,3,7-trimethyl-8-(methylaminomethyl)purine-2,6-dione?
1,3,7-trimethyl-8-(methylaminomethyl)purine-2,6-dione has a molecular weight of 237.26 g/mol, XLogP of -1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,7-trimethyl-8-(methylaminomethyl)purine-2,6-dione is sourced from PubChem (CID 82463865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).