[5-chloro-4-(7H-purin-6-ylsulfanyl)pyrimidin-2-yl]hydrazine

C9H7ClN8S — CID 80922564

IUPAC[5-chloro-4-(7H-purin-6-ylsulfanyl)pyrimidin-2-yl]hydrazine
SMILESNNc1ncc(Cl)c(Sc2ncnc3nc[nH]c23)n1
InChIInChI=1S/C9H7ClN8S/c10-4-1-12-9(18-11)17-7(4)19-8-5-6(14-2-13-5)15-3-16-8/h1-3H,11H2,(H,12,17,18)(H,13,14,15,16)
InChIKeyYBUWMVVUFAEUHK-UHFFFAOYSA-N
MW294.73 g/mol
LogP1.23
Rot. Bonds3

About [5-chloro-4-(7H-purin-6-ylsulfanyl)pyrimidin-2-yl]hydrazine

[5-chloro-4-(7H-purin-6-ylsulfanyl)pyrimidin-2-yl]hydrazine (PubChem CID 80922564) has the molecular formula C9H7ClN8S and a molecular weight of 294.73 g/mol. Its IUPAC name is [5-chloro-4-(7H-purin-6-ylsulfanyl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-chloro-4-(7H-purin-6-ylsulfanyl)pyrimidin-2-yl]hydrazine
PubChem CID80922564
Molecular FormulaC9H7ClN8S
Molecular Weight294.73 g/mol
Exact Mass294.02
IUPAC Name[5-chloro-4-(7H-purin-6-ylsulfanyl)pyrimidin-2-yl]hydrazine
SMILESNNc1ncc(Cl)c(Sc2ncnc3nc[nH]c23)n1
InChIInChI=1S/C9H7ClN8S/c10-4-1-12-9(18-11)17-7(4)19-8-5-6(14-2-13-5)15-3-16-8/h1-3H,11H2,(H,12,17,18)(H,13,14,15,16)
InChIKeyYBUWMVVUFAEUHK-UHFFFAOYSA-N
XLogP1.23
TPSA118.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.73
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-5-methyl-4-(7H-purin-6-ylsulfanyl)pyrimidin-2-amine
CID 80892340
[2-methyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-4-yl]hydrazine
CID 80922991
6-[(6-chloro-2-pyridinyl)sulfanyl]-7H-purine
CID 63588245
3-(7H-purin-6-ylsulfanyl)quinoxalin-2-amine
CID 102988888
[5-chloro-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-yl]hydrazine
CID 80923061
6-[(3,5,6-trifluoro-2-pyridinyl)sulfanyl]-7H-purine
CID 114072791
[3-nitro-5-(7H-purin-6-ylsulfanyl)phenyl]hydrazine
CID 80925091
4-chloro-2-methyl-6-(7H-purin-6-ylsulfanyl)pyrimidine-5-carbaldehyde
CID 80726670
[4-(1H-benzimidazol-2-ylsulfanyl)-5-chloropyrimidin-2-yl]hydrazine
CID 80930355
6-(3-chlorophenyl)sulfanyl-7H-purine
CID 514793
5-amino-6-(7H-purin-6-ylsulfanyl)pyridine-2-carboxamide
CID 114409591
[5-chloro-4-(3,4-dimethylphenyl)sulfanylpyrimidin-2-yl]hydrazine
CID 80931464

Frequently Asked Questions

What is the IUPAC name of [5-chloro-4-(7H-purin-6-ylsulfanyl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [5-chloro-4-(7H-purin-6-ylsulfanyl)pyrimidin-2-yl]hydrazine (CID 80922564) is [5-chloro-4-(7H-purin-6-ylsulfanyl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-chloro-4-(7H-purin-6-ylsulfanyl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-chloro-4-(7H-purin-6-ylsulfanyl)pyrimidin-2-yl]hydrazine is NNc1ncc(Cl)c(Sc2ncnc3nc[nH]c23)n1.
What is the InChIKey of [5-chloro-4-(7H-purin-6-ylsulfanyl)pyrimidin-2-yl]hydrazine?
The InChIKey is YBUWMVVUFAEUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN8S/c10-4-1-12-9(18-11)17-7(4)19-8-5-6(14-2-13-5)15-3-16-8/h1-3H,11H2,(H,12,17,18)(H,13,14,15,16).
What are the key properties of [5-chloro-4-(7H-purin-6-ylsulfanyl)pyrimidin-2-yl]hydrazine?
[5-chloro-4-(7H-purin-6-ylsulfanyl)pyrimidin-2-yl]hydrazine has a molecular weight of 294.73 g/mol, XLogP of 1.23, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-4-(7H-purin-6-ylsulfanyl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80922564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).