2-amino-7,9-dihydro-1H-purine-6,8-dione;ethane

C7H11N5O2 — CID 170585214

IUPAC2-amino-7,9-dihydro-1H-purine-6,8-dione;ethane
SMILESCC.Nc1nc2[nH]c(=O)[nH]c2c(=O)[nH]1
InChIInChI=1S/C5H5N5O2.C2H6/c6-4-8-2-1(3(11)10-4)7-5(12)9-2;1-2/h(H5,6,7,8,9,10,11,12);1-2H3
InChIKeyCBGWWKMYOUSVFQ-UHFFFAOYSA-N
MW197.20 g/mol
LogP-0.45
Rot. Bonds

About 2-amino-7,9-dihydro-1H-purine-6,8-dione;ethane

2-amino-7,9-dihydro-1H-purine-6,8-dione;ethane (PubChem CID 170585214) has the molecular formula C7H11N5O2 and a molecular weight of 197.20 g/mol. Its IUPAC name is 2-amino-7,9-dihydro-1H-purine-6,8-dione;ethane.

Molecular Properties

Compound Name2-amino-7,9-dihydro-1H-purine-6,8-dione;ethane
PubChem CID170585214
Molecular FormulaC7H11N5O2
Molecular Weight197.20 g/mol
Exact Mass197.09
IUPAC Name2-amino-7,9-dihydro-1H-purine-6,8-dione;ethane
SMILESCC.Nc1nc2[nH]c(=O)[nH]c2c(=O)[nH]1
InChIInChI=1S/C5H5N5O2.C2H6/c6-4-8-2-1(3(11)10-4)7-5(12)9-2;1-2/h(H5,6,7,8,9,10,11,12);1-2H3
InChIKeyCBGWWKMYOUSVFQ-UHFFFAOYSA-N
XLogP-0.45
TPSA120.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 5-0.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7,9-dihydro-1H-purine-6,8-dione;ethane?
The IUPAC name of 2-amino-7,9-dihydro-1H-purine-6,8-dione;ethane (CID 170585214) is 2-amino-7,9-dihydro-1H-purine-6,8-dione;ethane.
What is the SMILES notation for 2-amino-7,9-dihydro-1H-purine-6,8-dione;ethane?
The canonical SMILES for 2-amino-7,9-dihydro-1H-purine-6,8-dione;ethane is CC.Nc1nc2[nH]c(=O)[nH]c2c(=O)[nH]1.
What is the InChIKey of 2-amino-7,9-dihydro-1H-purine-6,8-dione;ethane?
The InChIKey is CBGWWKMYOUSVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5O2.C2H6/c6-4-8-2-1(3(11)10-4)7-5(12)9-2;1-2/h(H5,6,7,8,9,10,11,12);1-2H3.
What are the key properties of 2-amino-7,9-dihydro-1H-purine-6,8-dione;ethane?
2-amino-7,9-dihydro-1H-purine-6,8-dione;ethane has a molecular weight of 197.20 g/mol, XLogP of -0.45, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7,9-dihydro-1H-purine-6,8-dione;ethane is sourced from PubChem (CID 170585214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).