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

C5H7Cl2N5O — CID 140978979

IUPAC2-amino-1,7-dihydropurin-6-one;dihydrochloride
SMILESCl.Cl.Nc1nc2nc[nH]c2c(=O)[nH]1
InChIInChI=1S/C5H5N5O.2ClH/c6-5-9-3-2(4(11)10-5)7-1-8-3;;/h1H,(H4,6,7,8,9,10,11);2*1H
InChIKeyBPVHBSUJEOMRDH-UHFFFAOYSA-N
MW224.05 g/mol
LogP0.07
Rot. Bonds

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

2-amino-1,7-dihydropurin-6-one;dihydrochloride (PubChem CID 140978979) has the molecular formula C5H7Cl2N5O and a molecular weight of 224.05 g/mol. Its IUPAC name is 2-amino-1,7-dihydropurin-6-one;dihydrochloride.

Molecular Properties

Compound Name2-amino-1,7-dihydropurin-6-one;dihydrochloride
PubChem CID140978979
Molecular FormulaC5H7Cl2N5O
Molecular Weight224.05 g/mol
Exact Mass223.00
IUPAC Name2-amino-1,7-dihydropurin-6-one;dihydrochloride
SMILESCl.Cl.Nc1nc2nc[nH]c2c(=O)[nH]1
InChIInChI=1S/C5H5N5O.2ClH/c6-5-9-3-2(4(11)10-5)7-1-8-3;;/h1H,(H4,6,7,8,9,10,11);2*1H
InChIKeyBPVHBSUJEOMRDH-UHFFFAOYSA-N
XLogP0.07
TPSA100.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.05
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 136626730
2-amino-1,7-dihydropurin-6-one;phosphoric acid;7H-purin-6-amine
CID 172703090
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CID 159387270
2-amino-1,7-dihydropurin-6-one;3,7-dihydropurine-2,6-dione;1H-pyrimidine-2,4-dione;hydrochloride
CID 163525060
2-amino-1,7-dihydropurin-6-one;2-amino-7-ethyl-1H-purin-6-one
CID 160674517
2-amino-1,7-dihydropurin-6-one;5-methyl-1H-pyrimidine-2,4-dione;phosphoric acid
CID 159240828
2-amino-1,7-dihydropurin-6-one;(1R)-3-(hydroxymethyl)bicyclo[2.1.0]pentane-1,2,5-triol
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Frequently Asked Questions

What is the IUPAC name of 2-amino-1,7-dihydropurin-6-one;dihydrochloride?
The IUPAC name of 2-amino-1,7-dihydropurin-6-one;dihydrochloride (CID 140978979) is 2-amino-1,7-dihydropurin-6-one;dihydrochloride.
What is the SMILES notation for 2-amino-1,7-dihydropurin-6-one;dihydrochloride?
The canonical SMILES for 2-amino-1,7-dihydropurin-6-one;dihydrochloride is Cl.Cl.Nc1nc2nc[nH]c2c(=O)[nH]1.
What is the InChIKey of 2-amino-1,7-dihydropurin-6-one;dihydrochloride?
The InChIKey is BPVHBSUJEOMRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5O.2ClH/c6-5-9-3-2(4(11)10-5)7-1-8-3;;/h1H,(H4,6,7,8,9,10,11);2*1H.
What are the key properties of 2-amino-1,7-dihydropurin-6-one;dihydrochloride?
2-amino-1,7-dihydropurin-6-one;dihydrochloride has a molecular weight of 224.05 g/mol, XLogP of 0.07, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,7-dihydropurin-6-one;dihydrochloride is sourced from PubChem (CID 140978979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).