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

C10H15N5O2 — CID 719396

IUPAC7-ethyl-1,3-dimethyl-8-(methylamino)purine-2,6-dione
SMILESCCn1c(NC)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C10H15N5O2/c1-5-15-6-7(12-9(15)11-2)13(3)10(17)14(4)8(6)16/h5H2,1-4H3,(H,11,12)
InChIKeyYEXVWWBNIQFHJT-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.50
Rot. Bonds2

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

7-ethyl-1,3-dimethyl-8-(methylamino)purine-2,6-dione (PubChem CID 719396) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 7-ethyl-1,3-dimethyl-8-(methylamino)purine-2,6-dione.

Molecular Properties

Compound Name7-ethyl-1,3-dimethyl-8-(methylamino)purine-2,6-dione
PubChem CID719396
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name7-ethyl-1,3-dimethyl-8-(methylamino)purine-2,6-dione
SMILESCCn1c(NC)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C10H15N5O2/c1-5-15-6-7(12-9(15)11-2)13(3)10(17)14(4)8(6)16/h5H2,1-4H3,(H,11,12)
InChIKeyYEXVWWBNIQFHJT-UHFFFAOYSA-N
XLogP-0.50
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 ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-ethyl-1-methyl-8-(methylamino)-3-propylpurine-2,6-dione
CID 82464656
3-butyl-7-ethyl-1-methyl-8-(methylamino)purine-2,6-dione
CID 82464795
8-(butan-2-ylamino)-7-ethyl-1,3-dimethylpurine-2,6-dione
CID 16805287
2-[(7-ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)amino]acetic acid
CID 27370820
7-ethyl-1,3,8-trimethylpurine-2,6-dione;N-methylmethanamine
CID 20562628
1,3,7-triethyl-8-(methylamino)purine-2,6-dione
CID 82464428
2-[(7-ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)amino]ethyl-dimethylazanium
CID 3620443
1,3-dimethyl-8-(methylamino)-7-(naphthalen-1-ylmethyl)purine-2,6-dione
CID 937090
7-ethyl-1,3-dimethyl-8-(trifluoromethyl)purine-2,6-dione
CID 20562612
7-ethyl-1,3-dimethyl-8-(pyridin-2-ylmethylamino)purine-2,6-dione
CID 663453
7-ethyl-8-(ethylamino)-1-methyl-3-propan-2-ylpurine-2,6-dione
CID 82464522
7-(2-aminoethyl)-8-hydrazinyl-1,3-dimethylpurine-2,6-dione
CID 12506348

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1,3-dimethyl-8-(methylamino)purine-2,6-dione?
The IUPAC name of 7-ethyl-1,3-dimethyl-8-(methylamino)purine-2,6-dione (CID 719396) is 7-ethyl-1,3-dimethyl-8-(methylamino)purine-2,6-dione.
What is the SMILES notation for 7-ethyl-1,3-dimethyl-8-(methylamino)purine-2,6-dione?
The canonical SMILES for 7-ethyl-1,3-dimethyl-8-(methylamino)purine-2,6-dione is CCn1c(NC)nc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of 7-ethyl-1,3-dimethyl-8-(methylamino)purine-2,6-dione?
The InChIKey is YEXVWWBNIQFHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-5-15-6-7(12-9(15)11-2)13(3)10(17)14(4)8(6)16/h5H2,1-4H3,(H,11,12).
What are the key properties of 7-ethyl-1,3-dimethyl-8-(methylamino)purine-2,6-dione?
7-ethyl-1,3-dimethyl-8-(methylamino)purine-2,6-dione has a molecular weight of 237.26 g/mol, XLogP of -0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1,3-dimethyl-8-(methylamino)purine-2,6-dione is sourced from PubChem (CID 719396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).