6-amino-9-methyl-1,7-dihydropurine-2,8-dione;hydrochloride

C6H8ClN5O2 — CID 46915512

IUPAC6-amino-9-methyl-1,7-dihydropurine-2,8-dione;hydrochloride
SMILESCl.Cn1c(=O)[nH]c2c(N)[nH]c(=O)nc21
InChIInChI=1S/C6H7N5O2.ClH/c1-11-4-2(8-6(11)13)3(7)9-5(12)10-4;/h1H3,(H,8,13)(H3,7,9,10,12);1H
InChIKeyHCXMOQBJSJPBLM-UHFFFAOYSA-N
MW217.62 g/mol
LogP-1.05
Rot. Bonds

About 6-amino-9-methyl-1,7-dihydropurine-2,8-dione;hydrochloride

6-amino-9-methyl-1,7-dihydropurine-2,8-dione;hydrochloride (PubChem CID 46915512) has the molecular formula C6H8ClN5O2 and a molecular weight of 217.62 g/mol. Its IUPAC name is 6-amino-9-methyl-1,7-dihydropurine-2,8-dione;hydrochloride.

Molecular Properties

Compound Name6-amino-9-methyl-1,7-dihydropurine-2,8-dione;hydrochloride
PubChem CID46915512
Molecular FormulaC6H8ClN5O2
Molecular Weight217.62 g/mol
Exact Mass217.04
IUPAC Name6-amino-9-methyl-1,7-dihydropurine-2,8-dione;hydrochloride
SMILESCl.Cn1c(=O)[nH]c2c(N)[nH]c(=O)nc21
InChIInChI=1S/C6H7N5O2.ClH/c1-11-4-2(8-6(11)13)3(7)9-5(12)10-4;/h1H3,(H,8,13)(H3,7,9,10,12);1H
InChIKeyHCXMOQBJSJPBLM-UHFFFAOYSA-N
XLogP-1.05
TPSA109.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.62
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-9-methyl-1,7-dihydropurine-2,8-dione;hydrochloride?
The IUPAC name of 6-amino-9-methyl-1,7-dihydropurine-2,8-dione;hydrochloride (CID 46915512) is 6-amino-9-methyl-1,7-dihydropurine-2,8-dione;hydrochloride.
What is the SMILES notation for 6-amino-9-methyl-1,7-dihydropurine-2,8-dione;hydrochloride?
The canonical SMILES for 6-amino-9-methyl-1,7-dihydropurine-2,8-dione;hydrochloride is Cl.Cn1c(=O)[nH]c2c(N)[nH]c(=O)nc21.
What is the InChIKey of 6-amino-9-methyl-1,7-dihydropurine-2,8-dione;hydrochloride?
The InChIKey is HCXMOQBJSJPBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O2.ClH/c1-11-4-2(8-6(11)13)3(7)9-5(12)10-4;/h1H3,(H,8,13)(H3,7,9,10,12);1H.
What are the key properties of 6-amino-9-methyl-1,7-dihydropurine-2,8-dione;hydrochloride?
6-amino-9-methyl-1,7-dihydropurine-2,8-dione;hydrochloride has a molecular weight of 217.62 g/mol, XLogP of -1.05, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-9-methyl-1,7-dihydropurine-2,8-dione;hydrochloride is sourced from PubChem (CID 46915512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).