8-amino-7-ethyl-3-methylpurine-2,6-dione;ethenamine;molecular hydrogen

C10H20N6O2 — CID 143283838

IUPAC8-amino-7-ethyl-3-methylpurine-2,6-dione;ethenamine;molecular hydrogen
SMILESC=CN.CCn1c(N)nc2c1c(=O)[nH]c(=O)n2C.[H][H].[H][H]
InChIInChI=1S/C8H11N5O2.C2H5N.2H2/c1-3-13-4-5(10-7(13)9)12(2)8(15)11-6(4)14;1-2-3;;/h3H2,1-2H3,(H2,9,10)(H,11,14,15);2H,1,3H2;2*1H
InChIKeyBJWYWEFSVMHFAV-UHFFFAOYSA-N
MW256.31 g/mol
LogP-0.39
Rot. Bonds1

About 8-amino-7-ethyl-3-methylpurine-2,6-dione;ethenamine;molecular hydrogen

8-amino-7-ethyl-3-methylpurine-2,6-dione;ethenamine;molecular hydrogen (PubChem CID 143283838) has the molecular formula C10H20N6O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 8-amino-7-ethyl-3-methylpurine-2,6-dione;ethenamine;molecular hydrogen.

Molecular Properties

Compound Name8-amino-7-ethyl-3-methylpurine-2,6-dione;ethenamine;molecular hydrogen
PubChem CID143283838
Molecular FormulaC10H20N6O2
Molecular Weight256.31 g/mol
Exact Mass256.16
IUPAC Name8-amino-7-ethyl-3-methylpurine-2,6-dione;ethenamine;molecular hydrogen
SMILESC=CN.CCn1c(N)nc2c1c(=O)[nH]c(=O)n2C.[H][H].[H][H]
InChIInChI=1S/C8H11N5O2.C2H5N.2H2/c1-3-13-4-5(10-7(13)9)12(2)8(15)11-6(4)14;1-2-3;;/h3H2,1-2H3,(H2,9,10)(H,11,14,15);2H,1,3H2;2*1H
InChIKeyBJWYWEFSVMHFAV-UHFFFAOYSA-N
XLogP-0.39
TPSA124.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

8-amino-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione
CID 787610
8-amino-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione
CID 776805
8-amino-3-ethyl-7-methylpurine-2,6-dione
CID 82463984
8-amino-3-methyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione
CID 66485145
8-amino-3-methyl-7-(3-phenylprop-2-enyl)purine-2,6-dione
CID 71946934
8-amino-7-[(2R)-butan-2-yl]-3-methylpurine-2,6-dione
CID 776144
7-ethyl-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione
CID 677004
8-hydrazinyl-3-methyl-7-prop-2-enylpurine-2,6-dione
CID 823143
8-ethylsulfanyl-3-methyl-7-prop-2-enylpurine-2,6-dione
CID 823109
3-methyl-8-prop-2-enylsulfanyl-7-propylpurine-2,6-dione
CID 3109673
8-amino-1,7-diethyl-3-methylpurine-2,6-dione
CID 82464399
8-bromo-3-methyl-7-propylpurine-2,6-dione
CID 747357

Frequently Asked Questions

What is the IUPAC name of 8-amino-7-ethyl-3-methylpurine-2,6-dione;ethenamine;molecular hydrogen?
The IUPAC name of 8-amino-7-ethyl-3-methylpurine-2,6-dione;ethenamine;molecular hydrogen (CID 143283838) is 8-amino-7-ethyl-3-methylpurine-2,6-dione;ethenamine;molecular hydrogen.
What is the SMILES notation for 8-amino-7-ethyl-3-methylpurine-2,6-dione;ethenamine;molecular hydrogen?
The canonical SMILES for 8-amino-7-ethyl-3-methylpurine-2,6-dione;ethenamine;molecular hydrogen is C=CN.CCn1c(N)nc2c1c(=O)[nH]c(=O)n2C.[H][H].[H][H].
What is the InChIKey of 8-amino-7-ethyl-3-methylpurine-2,6-dione;ethenamine;molecular hydrogen?
The InChIKey is BJWYWEFSVMHFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2.C2H5N.2H2/c1-3-13-4-5(10-7(13)9)12(2)8(15)11-6(4)14;1-2-3;;/h3H2,1-2H3,(H2,9,10)(H,11,14,15);2H,1,3H2;2*1H.
What are the key properties of 8-amino-7-ethyl-3-methylpurine-2,6-dione;ethenamine;molecular hydrogen?
8-amino-7-ethyl-3-methylpurine-2,6-dione;ethenamine;molecular hydrogen has a molecular weight of 256.31 g/mol, XLogP of -0.39, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-7-ethyl-3-methylpurine-2,6-dione;ethenamine;molecular hydrogen is sourced from PubChem (CID 143283838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).