6-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidine-4-carboximidamide

C8H8N6S2 — CID 107551769

IUPAC6-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(Sc2nncs2)n1
InChIInChI=1S/C8H8N6S2/c1-4-2-5(6(9)10)13-7(12-4)16-8-14-11-3-15-8/h2-3H,1H3,(H3,9,10)
InChIKeyBYKHHPTYUDLVGK-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.07
Rot. Bonds3

About 6-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidine-4-carboximidamide

6-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidine-4-carboximidamide (PubChem CID 107551769) has the molecular formula C8H8N6S2 and a molecular weight of 252.33 g/mol. Its IUPAC name is 6-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidine-4-carboximidamide.

Molecular Properties

Compound Name6-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidine-4-carboximidamide
PubChem CID107551769
Molecular FormulaC8H8N6S2
Molecular Weight252.33 g/mol
Exact Mass252.03
IUPAC Name6-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(Sc2nncs2)n1
InChIInChI=1S/C8H8N6S2/c1-4-2-5(6(9)10)13-7(12-4)16-8-14-11-3-15-8/h2-3H,1H3,(H3,9,10)
InChIKeyBYKHHPTYUDLVGK-UHFFFAOYSA-N
XLogP1.07
TPSA101.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 6-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidine-4-carboximidamide?
The IUPAC name of 6-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidine-4-carboximidamide (CID 107551769) is 6-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidine-4-carboximidamide.
What is the SMILES notation for 6-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidine-4-carboximidamide?
The canonical SMILES for 6-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidine-4-carboximidamide is [H]/N=C(\N)c1cc(C)nc(Sc2nncs2)n1.
What is the InChIKey of 6-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidine-4-carboximidamide?
The InChIKey is BYKHHPTYUDLVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6S2/c1-4-2-5(6(9)10)13-7(12-4)16-8-14-11-3-15-8/h2-3H,1H3,(H3,9,10).
What are the key properties of 6-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidine-4-carboximidamide?
6-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidine-4-carboximidamide has a molecular weight of 252.33 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidine-4-carboximidamide is sourced from PubChem (CID 107551769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).