7-ethyl-1,3,8-trimethylpurine-2,6-dione;N-methylmethanamine

C12H21N5O2 — CID 20562628

IUPAC7-ethyl-1,3,8-trimethylpurine-2,6-dione;N-methylmethanamine
SMILESCCn1c(C)nc2c1c(=O)n(C)c(=O)n2C.CNC
InChIInChI=1S/C10H14N4O2.C2H7N/c1-5-14-6(2)11-8-7(14)9(15)13(4)10(16)12(8)3;1-3-2/h5H2,1-4H3;3H,1-2H3
InChIKeyFPFHGQXCZNFVGM-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.40
Rot. Bonds1

About 7-ethyl-1,3,8-trimethylpurine-2,6-dione;N-methylmethanamine

7-ethyl-1,3,8-trimethylpurine-2,6-dione;N-methylmethanamine (PubChem CID 20562628) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 7-ethyl-1,3,8-trimethylpurine-2,6-dione;N-methylmethanamine.

Molecular Properties

Compound Name7-ethyl-1,3,8-trimethylpurine-2,6-dione;N-methylmethanamine
PubChem CID20562628
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name7-ethyl-1,3,8-trimethylpurine-2,6-dione;N-methylmethanamine
SMILESCCn1c(C)nc2c1c(=O)n(C)c(=O)n2C.CNC
InChIInChI=1S/C10H14N4O2.C2H7N/c1-5-14-6(2)11-8-7(14)9(15)13(4)10(16)12(8)3;1-3-2/h5H2,1-4H3;3H,1-2H3
InChIKeyFPFHGQXCZNFVGM-UHFFFAOYSA-N
XLogP-0.40
TPSA73.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-butyl-1,3,8-trimethylpurine-2,6-dione;N-methylmethanamine;hydrochloride
CID 20562670
7-ethyl-1,3-dimethyl-8-(methylamino)purine-2,6-dione
CID 719396
8-(butan-2-ylamino)-7-ethyl-1,3-dimethylpurine-2,6-dione
CID 16805287
1-(1-aminopropan-2-yl)-7-ethyl-3,8-dimethylpurine-2,6-dione
CID 82466471
7-butyl-1,3,8-trimethylpurine-2,6-dione;N-propylpropan-1-amine
CID 20562678
7-(3-aminopropyl)-3-ethyl-1,8-dimethylpurine-2,6-dione
CID 82465806
1-(2-amino-2-methylpropyl)-7-ethyl-3,8-dimethylpurine-2,6-dione
CID 82466472
3-(7-ethyl-3,8-dimethyl-2,6-dioxopurin-1-yl)propanenitrile
CID 51058636
3-ethyl-1,7,8-trimethylpurine-2,6-dione
CID 59939546
7-ethyl-1,3-dimethyl-8-(trifluoromethyl)purine-2,6-dione
CID 20562612
7-[2-[di(propan-2-yl)amino]ethyl]-1,3,8-trimethylpurine-2,6-dione
CID 20562635
7-[2-(dibutylamino)ethyl]-1,3,8-trimethylpurine-2,6-dione;hydrochloride
CID 70578145

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1,3,8-trimethylpurine-2,6-dione;N-methylmethanamine?
The IUPAC name of 7-ethyl-1,3,8-trimethylpurine-2,6-dione;N-methylmethanamine (CID 20562628) is 7-ethyl-1,3,8-trimethylpurine-2,6-dione;N-methylmethanamine.
What is the SMILES notation for 7-ethyl-1,3,8-trimethylpurine-2,6-dione;N-methylmethanamine?
The canonical SMILES for 7-ethyl-1,3,8-trimethylpurine-2,6-dione;N-methylmethanamine is CCn1c(C)nc2c1c(=O)n(C)c(=O)n2C.CNC.
What is the InChIKey of 7-ethyl-1,3,8-trimethylpurine-2,6-dione;N-methylmethanamine?
The InChIKey is FPFHGQXCZNFVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2.C2H7N/c1-5-14-6(2)11-8-7(14)9(15)13(4)10(16)12(8)3;1-3-2/h5H2,1-4H3;3H,1-2H3.
What are the key properties of 7-ethyl-1,3,8-trimethylpurine-2,6-dione;N-methylmethanamine?
7-ethyl-1,3,8-trimethylpurine-2,6-dione;N-methylmethanamine has a molecular weight of 267.33 g/mol, XLogP of -0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1,3,8-trimethylpurine-2,6-dione;N-methylmethanamine is sourced from PubChem (CID 20562628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).