3-amino-1,7-dimethylpurine-2,6-dione

C7H9N5O2 — CID 14612981

IUPAC3-amino-1,7-dimethylpurine-2,6-dione
SMILESCn1c(=O)c2c(ncn2C)n(N)c1=O
InChIInChI=1S/C7H9N5O2/c1-10-3-9-5-4(10)6(13)11(2)7(14)12(5)8/h3H,8H2,1-2H3
InChIKeyDEAMSHFCDLOBEJ-UHFFFAOYSA-N
MW195.18 g/mol
LogP-1.85
Rot. Bonds

About 3-amino-1,7-dimethylpurine-2,6-dione

3-amino-1,7-dimethylpurine-2,6-dione (PubChem CID 14612981) has the molecular formula C7H9N5O2 and a molecular weight of 195.18 g/mol. Its IUPAC name is 3-amino-1,7-dimethylpurine-2,6-dione.

Molecular Properties

Compound Name3-amino-1,7-dimethylpurine-2,6-dione
PubChem CID14612981
Molecular FormulaC7H9N5O2
Molecular Weight195.18 g/mol
Exact Mass195.08
IUPAC Name3-amino-1,7-dimethylpurine-2,6-dione
SMILESCn1c(=O)c2c(ncn2C)n(N)c1=O
InChIInChI=1S/C7H9N5O2/c1-10-3-9-5-4(10)6(13)11(2)7(14)12(5)8/h3H,8H2,1-2H3
InChIKeyDEAMSHFCDLOBEJ-UHFFFAOYSA-N
XLogP-1.85
TPSA87.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-1.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,3,7-trimethylpurine-2,6-dione
CID 131953138
iron;1,3,7-trimethylpurine-2,6-dione
CID 158445461
methylidenepalladium;1,3,7-trimethylpurine-2,6-dione
CID 175189767
hydroxysilane;1,3,7-trimethylpurine-2,6-dione
CID 159880606
methoxymethane;1,3,7-trimethylpurine-2,6-dione
CID 175086770
ethane-1,2-diol;1,3,7-trimethylpurine-2,6-dione
CID 122445304
acetic acid;propan-2-one;1,3,7-trimethylpurine-2,6-dione
CID 70407407
7-methyl-1,3-bis(trideuteriomethyl)purine-2,6-dione
CID 13001301
1,3,7-trimethyl-2-sulfanylidenepurin-6-one
CID 23269076
1,7-dimethyl-3-(oxiran-2-yl)purine-2,6-dione
CID 91513962
butane-1,3-diol;1,3,7-trimethylpurine-2,6-dione
CID 174188609
2,2,3,3,4,4,5,5-octafluorohexanedioic acid;bis(1,3,7-trimethylpurine-2,6-dione)
CID 139144451

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,7-dimethylpurine-2,6-dione?
The IUPAC name of 3-amino-1,7-dimethylpurine-2,6-dione (CID 14612981) is 3-amino-1,7-dimethylpurine-2,6-dione.
What is the SMILES notation for 3-amino-1,7-dimethylpurine-2,6-dione?
The canonical SMILES for 3-amino-1,7-dimethylpurine-2,6-dione is Cn1c(=O)c2c(ncn2C)n(N)c1=O.
What is the InChIKey of 3-amino-1,7-dimethylpurine-2,6-dione?
The InChIKey is DEAMSHFCDLOBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O2/c1-10-3-9-5-4(10)6(13)11(2)7(14)12(5)8/h3H,8H2,1-2H3.
What are the key properties of 3-amino-1,7-dimethylpurine-2,6-dione?
3-amino-1,7-dimethylpurine-2,6-dione has a molecular weight of 195.18 g/mol, XLogP of -1.85, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,7-dimethylpurine-2,6-dione is sourced from PubChem (CID 14612981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).