1-hydroxy-9-N,9-N-dimethylpurin-1-ium-6,9-diamine

C7H11N6O+ — CID 123828646

IUPAC1-hydroxy-9-N,9-N-dimethylpurin-1-ium-6,9-diamine
SMILESCN(C)n1cnc2c(N)[n+](O)cnc21
InChIInChI=1S/C7H10N6O/c1-11(2)12-3-9-5-6(8)13(14)4-10-7(5)12/h3-4,8,14H,1-2H3/p+1
InChIKeySNWOVIQKBFQVCZ-UHFFFAOYSA-O
MW195.21 g/mol
LogP-1.26
Rot. Bonds1

About 1-hydroxy-9-N,9-N-dimethylpurin-1-ium-6,9-diamine

1-hydroxy-9-N,9-N-dimethylpurin-1-ium-6,9-diamine (PubChem CID 123828646) has the molecular formula C7H11N6O+ and a molecular weight of 195.21 g/mol. Its IUPAC name is 1-hydroxy-9-N,9-N-dimethylpurin-1-ium-6,9-diamine.

Molecular Properties

Compound Name1-hydroxy-9-N,9-N-dimethylpurin-1-ium-6,9-diamine
PubChem CID123828646
Molecular FormulaC7H11N6O+
Molecular Weight195.21 g/mol
Exact Mass195.10
IUPAC Name1-hydroxy-9-N,9-N-dimethylpurin-1-ium-6,9-diamine
SMILESCN(C)n1cnc2c(N)[n+](O)cnc21
InChIInChI=1S/C7H10N6O/c1-11(2)12-3-9-5-6(8)13(14)4-10-7(5)12/h3-4,8,14H,1-2H3/p+1
InChIKeySNWOVIQKBFQVCZ-UHFFFAOYSA-O
XLogP-1.26
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-hydroxy-9-N-methylpurin-1-ium-6,9-diamine
CID 123680816
[5-(6-amino-1-hydroxypurin-1-ium-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 74050978
[7-(6-amino-1-hydroxypurin-1-ium-9-yl)-6,7-dihydroxy-5-methoxy-3-methylheptan-3-yl]oxy-propan-2-ylphosphinic acid
CID 123695120
CID 67841290
CID 67841290
2-N,2-N,9-trimethylpurine-2,6-diamine
CID 66791926
9-N-amino-9-N-(methylamino)purine-2,6,9-triamine
CID 170001265
9-ethyl-6-N,6-N-dimethylpurine-2,6-diamine
CID 86046952
5-[2-amino-6-(dimethylamino)purin-9-yl]pentan-1-ol
CID 19603033
5-N,5-N-dimethylpyrimidine-2,5-diamine
CID 45080264
(2R,3S,5S)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol
CID 90321702
(2R,3R,4S,5S)-4-(dimethylamino)-2-[6-(dimethylamino)purin-9-yl]-5-(hydroxymethyl)oxolan-3-ol
CID 102504508
(2S,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N,N-dimethyloxolane-2-carboxamide
CID 21128963

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-9-N,9-N-dimethylpurin-1-ium-6,9-diamine?
The IUPAC name of 1-hydroxy-9-N,9-N-dimethylpurin-1-ium-6,9-diamine (CID 123828646) is 1-hydroxy-9-N,9-N-dimethylpurin-1-ium-6,9-diamine.
What is the SMILES notation for 1-hydroxy-9-N,9-N-dimethylpurin-1-ium-6,9-diamine?
The canonical SMILES for 1-hydroxy-9-N,9-N-dimethylpurin-1-ium-6,9-diamine is CN(C)n1cnc2c(N)[n+](O)cnc21.
What is the InChIKey of 1-hydroxy-9-N,9-N-dimethylpurin-1-ium-6,9-diamine?
The InChIKey is SNWOVIQKBFQVCZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H10N6O/c1-11(2)12-3-9-5-6(8)13(14)4-10-7(5)12/h3-4,8,14H,1-2H3/p+1.
What are the key properties of 1-hydroxy-9-N,9-N-dimethylpurin-1-ium-6,9-diamine?
1-hydroxy-9-N,9-N-dimethylpurin-1-ium-6,9-diamine has a molecular weight of 195.21 g/mol, XLogP of -1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-9-N,9-N-dimethylpurin-1-ium-6,9-diamine is sourced from PubChem (CID 123828646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).