5-methanimidoyl-6-methylsulfanylpyrimidin-4-amine

C6H8N4S — CID 88886923

IUPAC5-methanimidoyl-6-methylsulfanylpyrimidin-4-amine
SMILES[H]/N=C/c1c(N)ncnc1SC
InChIInChI=1S/C6H8N4S/c1-11-6-4(2-7)5(8)9-3-10-6/h2-3,7H,1H3,(H2,8,9,10)/b7-2+
InChIKeyLTRJXBKWXOPYMY-FARCUNLSSA-N
MW168.23 g/mol
LogP0.78
Rot. Bonds2

About 5-methanimidoyl-6-methylsulfanylpyrimidin-4-amine

5-methanimidoyl-6-methylsulfanylpyrimidin-4-amine (PubChem CID 88886923) has the molecular formula C6H8N4S and a molecular weight of 168.23 g/mol. Its IUPAC name is 5-methanimidoyl-6-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name5-methanimidoyl-6-methylsulfanylpyrimidin-4-amine
PubChem CID88886923
Molecular FormulaC6H8N4S
Molecular Weight168.23 g/mol
Exact Mass168.05
IUPAC Name5-methanimidoyl-6-methylsulfanylpyrimidin-4-amine
SMILES[H]/N=C/c1c(N)ncnc1SC
InChIInChI=1S/C6H8N4S/c1-11-6-4(2-7)5(8)9-3-10-6/h2-3,7H,1H3,(H2,8,9,10)/b7-2+
InChIKeyLTRJXBKWXOPYMY-FARCUNLSSA-N
XLogP0.78
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.23
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methanimidoyl-6-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 5-methanimidoyl-6-methylsulfanylpyrimidin-4-amine (CID 88886923) is 5-methanimidoyl-6-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 5-methanimidoyl-6-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 5-methanimidoyl-6-methylsulfanylpyrimidin-4-amine is [H]/N=C/c1c(N)ncnc1SC.
What is the InChIKey of 5-methanimidoyl-6-methylsulfanylpyrimidin-4-amine?
The InChIKey is LTRJXBKWXOPYMY-FARCUNLSSA-N. The full InChI is InChI=1S/C6H8N4S/c1-11-6-4(2-7)5(8)9-3-10-6/h2-3,7H,1H3,(H2,8,9,10)/b7-2+.
What are the key properties of 5-methanimidoyl-6-methylsulfanylpyrimidin-4-amine?
5-methanimidoyl-6-methylsulfanylpyrimidin-4-amine has a molecular weight of 168.23 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methanimidoyl-6-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 88886923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).