2-(4,6-diamino-2-methylsulfanylpyrimidin-5-yl)guanidine

C6H11N7S — CID 18473225

IUPAC2-(4,6-diamino-2-methylsulfanylpyrimidin-5-yl)guanidine
SMILESCSc1nc(N)c(N=C(N)N)c(N)n1
InChIInChI=1S/C6H11N7S/c1-14-6-12-3(7)2(4(8)13-6)11-5(9)10/h1H3,(H4,9,10,11)(H4,7,8,12,13)
InChIKeyBYNATVSEPLZKAO-UHFFFAOYSA-N
MW213.27 g/mol
LogP-0.73
Rot. Bonds2

About 2-(4,6-diamino-2-methylsulfanylpyrimidin-5-yl)guanidine

2-(4,6-diamino-2-methylsulfanylpyrimidin-5-yl)guanidine (PubChem CID 18473225) has the molecular formula C6H11N7S and a molecular weight of 213.27 g/mol. Its IUPAC name is 2-(4,6-diamino-2-methylsulfanylpyrimidin-5-yl)guanidine.

Molecular Properties

Compound Name2-(4,6-diamino-2-methylsulfanylpyrimidin-5-yl)guanidine
PubChem CID18473225
Molecular FormulaC6H11N7S
Molecular Weight213.27 g/mol
Exact Mass213.08
IUPAC Name2-(4,6-diamino-2-methylsulfanylpyrimidin-5-yl)guanidine
SMILESCSc1nc(N)c(N=C(N)N)c(N)n1
InChIInChI=1S/C6H11N7S/c1-14-6-12-3(7)2(4(8)13-6)11-5(9)10/h1H3,(H4,9,10,11)(H4,7,8,12,13)
InChIKeyBYNATVSEPLZKAO-UHFFFAOYSA-N
XLogP-0.73
TPSA142.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 5-0.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diamino-2-methylsulfanylpyrimidin-5-yl)guanidine?
The IUPAC name of 2-(4,6-diamino-2-methylsulfanylpyrimidin-5-yl)guanidine (CID 18473225) is 2-(4,6-diamino-2-methylsulfanylpyrimidin-5-yl)guanidine.
What is the SMILES notation for 2-(4,6-diamino-2-methylsulfanylpyrimidin-5-yl)guanidine?
The canonical SMILES for 2-(4,6-diamino-2-methylsulfanylpyrimidin-5-yl)guanidine is CSc1nc(N)c(N=C(N)N)c(N)n1.
What is the InChIKey of 2-(4,6-diamino-2-methylsulfanylpyrimidin-5-yl)guanidine?
The InChIKey is BYNATVSEPLZKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N7S/c1-14-6-12-3(7)2(4(8)13-6)11-5(9)10/h1H3,(H4,9,10,11)(H4,7,8,12,13).
What are the key properties of 2-(4,6-diamino-2-methylsulfanylpyrimidin-5-yl)guanidine?
2-(4,6-diamino-2-methylsulfanylpyrimidin-5-yl)guanidine has a molecular weight of 213.27 g/mol, XLogP of -0.73, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diamino-2-methylsulfanylpyrimidin-5-yl)guanidine is sourced from PubChem (CID 18473225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).