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

C7H14N10S — CID 57031837

IUPAC1-amino-2-[6-[[amino(hydrazinyl)methylidene]amino]-2-methylsulfanylpyrimidin-4-yl]guanidine
SMILESCSc1nc(N=C(N)NN)cc(/N=C(\N)NN)n1
InChIInChI=1S/C7H14N10S/c1-18-7-14-3(12-5(8)16-10)2-4(15-7)13-6(9)17-11/h2H,10-11H2,1H3,(H6,8,9,12,13,14,15,16,17)
InChIKeyPKAUUIOJNSNNDD-UHFFFAOYSA-N
MW270.33 g/mol
LogP-1.98
Rot. Bonds3

About 1-amino-2-[6-[[amino(hydrazinyl)methylidene]amino]-2-methylsulfanylpyrimidin-4-yl]guanidine

1-amino-2-[6-[[amino(hydrazinyl)methylidene]amino]-2-methylsulfanylpyrimidin-4-yl]guanidine (PubChem CID 57031837) has the molecular formula C7H14N10S and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-amino-2-[6-[[amino(hydrazinyl)methylidene]amino]-2-methylsulfanylpyrimidin-4-yl]guanidine.

Molecular Properties

Compound Name1-amino-2-[6-[[amino(hydrazinyl)methylidene]amino]-2-methylsulfanylpyrimidin-4-yl]guanidine
PubChem CID57031837
Molecular FormulaC7H14N10S
Molecular Weight270.33 g/mol
Exact Mass270.11
IUPAC Name1-amino-2-[6-[[amino(hydrazinyl)methylidene]amino]-2-methylsulfanylpyrimidin-4-yl]guanidine
SMILESCSc1nc(N=C(N)NN)cc(/N=C(\N)NN)n1
InChIInChI=1S/C7H14N10S/c1-18-7-14-3(12-5(8)16-10)2-4(15-7)13-6(9)17-11/h2H,10-11H2,1H3,(H6,8,9,12,13,14,15,16,17)
InChIKeyPKAUUIOJNSNNDD-UHFFFAOYSA-N
XLogP-1.98
TPSA178.64 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.33
LogP ≤ 5-1.98
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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 1-amino-2-[6-[[amino(hydrazinyl)methylidene]amino]-2-methylsulfanylpyrimidin-4-yl]guanidine?
The IUPAC name of 1-amino-2-[6-[[amino(hydrazinyl)methylidene]amino]-2-methylsulfanylpyrimidin-4-yl]guanidine (CID 57031837) is 1-amino-2-[6-[[amino(hydrazinyl)methylidene]amino]-2-methylsulfanylpyrimidin-4-yl]guanidine.
What is the SMILES notation for 1-amino-2-[6-[[amino(hydrazinyl)methylidene]amino]-2-methylsulfanylpyrimidin-4-yl]guanidine?
The canonical SMILES for 1-amino-2-[6-[[amino(hydrazinyl)methylidene]amino]-2-methylsulfanylpyrimidin-4-yl]guanidine is CSc1nc(N=C(N)NN)cc(/N=C(\N)NN)n1.
What is the InChIKey of 1-amino-2-[6-[[amino(hydrazinyl)methylidene]amino]-2-methylsulfanylpyrimidin-4-yl]guanidine?
The InChIKey is PKAUUIOJNSNNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N10S/c1-18-7-14-3(12-5(8)16-10)2-4(15-7)13-6(9)17-11/h2H,10-11H2,1H3,(H6,8,9,12,13,14,15,16,17).
What are the key properties of 1-amino-2-[6-[[amino(hydrazinyl)methylidene]amino]-2-methylsulfanylpyrimidin-4-yl]guanidine?
1-amino-2-[6-[[amino(hydrazinyl)methylidene]amino]-2-methylsulfanylpyrimidin-4-yl]guanidine has a molecular weight of 270.33 g/mol, XLogP of -1.98, 3 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[6-[[amino(hydrazinyl)methylidene]amino]-2-methylsulfanylpyrimidin-4-yl]guanidine is sourced from PubChem (CID 57031837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).