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

C10H10N8S — CID 80922991

IUPAC[2-methyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-4-yl]hydrazine
SMILESCc1nc(NN)cc(Sc2ncnc3nc[nH]c23)n1
InChIInChI=1S/C10H10N8S/c1-5-16-6(18-11)2-7(17-5)19-10-8-9(13-3-12-8)14-4-15-10/h2-4H,11H2,1H3,(H,16,17,18)(H,12,13,14,15)
InChIKeyVBDDJGCHWMRWAH-UHFFFAOYSA-N
MW274.31 g/mol
LogP0.89
Rot. Bonds3

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

[2-methyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-4-yl]hydrazine (PubChem CID 80922991) has the molecular formula C10H10N8S and a molecular weight of 274.31 g/mol. Its IUPAC name is [2-methyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-methyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-4-yl]hydrazine
PubChem CID80922991
Molecular FormulaC10H10N8S
Molecular Weight274.31 g/mol
Exact Mass274.07
IUPAC Name[2-methyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-4-yl]hydrazine
SMILESCc1nc(NN)cc(Sc2ncnc3nc[nH]c23)n1
InChIInChI=1S/C10H10N8S/c1-5-16-6(18-11)2-7(17-5)19-10-8-9(13-3-12-8)14-4-15-10/h2-4H,11H2,1H3,(H,16,17,18)(H,12,13,14,15)
InChIKeyVBDDJGCHWMRWAH-UHFFFAOYSA-N
XLogP0.89
TPSA118.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 50.89
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-4-methyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-2-amine
CID 80892125
[5-chloro-4-(7H-purin-6-ylsulfanyl)pyrimidin-2-yl]hydrazine
CID 80922564
4-methyl-3-(7H-purin-6-ylsulfanyl)aniline
CID 62588886
6-[(6-chloro-2-pyridinyl)sulfanyl]-7H-purine
CID 63588245
4-chloro-2-methyl-6-(7H-purin-6-ylsulfanyl)pyrimidine-5-carbaldehyde
CID 80726670
2-chloro-6-(7H-purin-6-ylsulfanyl)pyridine-4-carboxylic acid
CID 62253225
5-chloro-6-methyl-7-(7H-purin-6-ylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103077091
6-[(3,5,6-trifluoro-2-pyridinyl)sulfanyl]-7H-purine
CID 114072791
[3-nitro-5-(7H-purin-6-ylsulfanyl)phenyl]hydrazine
CID 80925091
4-[2,6-dimethyl-4-(7H-purin-6-ylsulfanyl)phenyl]-1,3-thiazole
CID 141409985
N-ethyl-5-methyl-4-(7H-purin-6-ylsulfanyl)pyrimidin-2-amine
CID 80892340
6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-7H-purin-2-amine
CID 102927037

Frequently Asked Questions

What is the IUPAC name of [2-methyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-methyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-4-yl]hydrazine (CID 80922991) is [2-methyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-methyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-methyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-4-yl]hydrazine is Cc1nc(NN)cc(Sc2ncnc3nc[nH]c23)n1.
What is the InChIKey of [2-methyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-4-yl]hydrazine?
The InChIKey is VBDDJGCHWMRWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N8S/c1-5-16-6(18-11)2-7(17-5)19-10-8-9(13-3-12-8)14-4-15-10/h2-4H,11H2,1H3,(H,16,17,18)(H,12,13,14,15).
What are the key properties of [2-methyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-4-yl]hydrazine?
[2-methyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-4-yl]hydrazine has a molecular weight of 274.31 g/mol, XLogP of 0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80922991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).