2-[[6-[2-(diaminomethylidene)hydrazinyl]-2-methylsulfanylpyrimidin-4-yl]amino]guanidine

C7H14N10S — CID 22086614

IUPAC2-[[6-[2-(diaminomethylidene)hydrazinyl]-2-methylsulfanylpyrimidin-4-yl]amino]guanidine
SMILESCSc1nc(NN=C(N)N)cc(NN=C(N)N)n1
InChIInChI=1S/C7H14N10S/c1-18-7-12-3(14-16-5(8)9)2-4(13-7)15-17-6(10)11/h2H,1H3,(H4,8,9,16)(H4,10,11,17)(H2,12,13,14,15)
InChIKeyNHWHZTSPYCQSFU-UHFFFAOYSA-N
MW270.33 g/mol
LogP-1.60
Rot. Bonds5

About 2-[[6-[2-(diaminomethylidene)hydrazinyl]-2-methylsulfanylpyrimidin-4-yl]amino]guanidine

2-[[6-[2-(diaminomethylidene)hydrazinyl]-2-methylsulfanylpyrimidin-4-yl]amino]guanidine (PubChem CID 22086614) has the molecular formula C7H14N10S and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[[6-[2-(diaminomethylidene)hydrazinyl]-2-methylsulfanylpyrimidin-4-yl]amino]guanidine.

Molecular Properties

Compound Name2-[[6-[2-(diaminomethylidene)hydrazinyl]-2-methylsulfanylpyrimidin-4-yl]amino]guanidine
PubChem CID22086614
Molecular FormulaC7H14N10S
Molecular Weight270.33 g/mol
Exact Mass270.11
IUPAC Name2-[[6-[2-(diaminomethylidene)hydrazinyl]-2-methylsulfanylpyrimidin-4-yl]amino]guanidine
SMILESCSc1nc(NN=C(N)N)cc(NN=C(N)N)n1
InChIInChI=1S/C7H14N10S/c1-18-7-12-3(14-16-5(8)9)2-4(13-7)15-17-6(10)11/h2H,1H3,(H4,8,9,16)(H4,10,11,17)(H2,12,13,14,15)
InChIKeyNHWHZTSPYCQSFU-UHFFFAOYSA-N
XLogP-1.60
TPSA178.64 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.33
LogP ≤ 5-1.60
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-[2-(diaminomethylidene)hydrazinyl]-2-methylsulfanylpyrimidin-4-yl]amino]guanidine?
The IUPAC name of 2-[[6-[2-(diaminomethylidene)hydrazinyl]-2-methylsulfanylpyrimidin-4-yl]amino]guanidine (CID 22086614) is 2-[[6-[2-(diaminomethylidene)hydrazinyl]-2-methylsulfanylpyrimidin-4-yl]amino]guanidine.
What is the SMILES notation for 2-[[6-[2-(diaminomethylidene)hydrazinyl]-2-methylsulfanylpyrimidin-4-yl]amino]guanidine?
The canonical SMILES for 2-[[6-[2-(diaminomethylidene)hydrazinyl]-2-methylsulfanylpyrimidin-4-yl]amino]guanidine is CSc1nc(NN=C(N)N)cc(NN=C(N)N)n1.
What is the InChIKey of 2-[[6-[2-(diaminomethylidene)hydrazinyl]-2-methylsulfanylpyrimidin-4-yl]amino]guanidine?
The InChIKey is NHWHZTSPYCQSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N10S/c1-18-7-12-3(14-16-5(8)9)2-4(13-7)15-17-6(10)11/h2H,1H3,(H4,8,9,16)(H4,10,11,17)(H2,12,13,14,15).
What are the key properties of 2-[[6-[2-(diaminomethylidene)hydrazinyl]-2-methylsulfanylpyrimidin-4-yl]amino]guanidine?
2-[[6-[2-(diaminomethylidene)hydrazinyl]-2-methylsulfanylpyrimidin-4-yl]amino]guanidine has a molecular weight of 270.33 g/mol, XLogP of -1.60, 5 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[2-(diaminomethylidene)hydrazinyl]-2-methylsulfanylpyrimidin-4-yl]amino]guanidine is sourced from PubChem (CID 22086614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).