2-amino-1,7-dihydropurin-6-one;methoxymethane

C7H11N5O2 — CID 170791174

IUPAC2-amino-1,7-dihydropurin-6-one;methoxymethane
SMILESCOC.Nc1nc2nc[nH]c2c(=O)[nH]1
InChIInChI=1S/C5H5N5O.C2H6O/c6-5-9-3-2(4(11)10-5)7-1-8-3;1-3-2/h1H,(H4,6,7,8,9,10,11);1-2H3
InChIKeyDFSVMASSCRRASB-UHFFFAOYSA-N
MW197.20 g/mol
LogP-0.51
Rot. Bonds

About 2-amino-1,7-dihydropurin-6-one;methoxymethane

2-amino-1,7-dihydropurin-6-one;methoxymethane (PubChem CID 170791174) has the molecular formula C7H11N5O2 and a molecular weight of 197.20 g/mol. Its IUPAC name is 2-amino-1,7-dihydropurin-6-one;methoxymethane.

Molecular Properties

Compound Name2-amino-1,7-dihydropurin-6-one;methoxymethane
PubChem CID170791174
Molecular FormulaC7H11N5O2
Molecular Weight197.20 g/mol
Exact Mass197.09
IUPAC Name2-amino-1,7-dihydropurin-6-one;methoxymethane
SMILESCOC.Nc1nc2nc[nH]c2c(=O)[nH]1
InChIInChI=1S/C5H5N5O.C2H6O/c6-5-9-3-2(4(11)10-5)7-1-8-3;1-3-2/h1H,(H4,6,7,8,9,10,11);1-2H3
InChIKeyDFSVMASSCRRASB-UHFFFAOYSA-N
XLogP-0.51
TPSA109.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1,7-dihydropurin-6-one;methoxymethane?
The IUPAC name of 2-amino-1,7-dihydropurin-6-one;methoxymethane (CID 170791174) is 2-amino-1,7-dihydropurin-6-one;methoxymethane.
What is the SMILES notation for 2-amino-1,7-dihydropurin-6-one;methoxymethane?
The canonical SMILES for 2-amino-1,7-dihydropurin-6-one;methoxymethane is COC.Nc1nc2nc[nH]c2c(=O)[nH]1.
What is the InChIKey of 2-amino-1,7-dihydropurin-6-one;methoxymethane?
The InChIKey is DFSVMASSCRRASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5O.C2H6O/c6-5-9-3-2(4(11)10-5)7-1-8-3;1-3-2/h1H,(H4,6,7,8,9,10,11);1-2H3.
What are the key properties of 2-amino-1,7-dihydropurin-6-one;methoxymethane?
2-amino-1,7-dihydropurin-6-one;methoxymethane has a molecular weight of 197.20 g/mol, XLogP of -0.51, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,7-dihydropurin-6-one;methoxymethane is sourced from PubChem (CID 170791174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).