2-tert-butylsulfanyl-6-methylpyrimidine-4-carboximidamide

C10H16N4S — CID 107551779

IUPAC2-tert-butylsulfanyl-6-methylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(SC(C)(C)C)n1
InChIInChI=1S/C10H16N4S/c1-6-5-7(8(11)12)14-9(13-6)15-10(2,3)4/h5H,1-4H3,(H3,11,12)
InChIKeyFZARZHGLNLQRQK-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.96
Rot. Bonds2

About 2-tert-butylsulfanyl-6-methylpyrimidine-4-carboximidamide

2-tert-butylsulfanyl-6-methylpyrimidine-4-carboximidamide (PubChem CID 107551779) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-6-methylpyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-6-methylpyrimidine-4-carboximidamide
PubChem CID107551779
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name2-tert-butylsulfanyl-6-methylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(SC(C)(C)C)n1
InChIInChI=1S/C10H16N4S/c1-6-5-7(8(11)12)14-9(13-6)15-10(2,3)4/h5H,1-4H3,(H3,11,12)
InChIKeyFZARZHGLNLQRQK-UHFFFAOYSA-N
XLogP1.96
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-tert-butylsulfanyl-6-methylpyrimidine-4-carboximidamide?
The IUPAC name of 2-tert-butylsulfanyl-6-methylpyrimidine-4-carboximidamide (CID 107551779) is 2-tert-butylsulfanyl-6-methylpyrimidine-4-carboximidamide.
What is the SMILES notation for 2-tert-butylsulfanyl-6-methylpyrimidine-4-carboximidamide?
The canonical SMILES for 2-tert-butylsulfanyl-6-methylpyrimidine-4-carboximidamide is [H]/N=C(\N)c1cc(C)nc(SC(C)(C)C)n1.
What is the InChIKey of 2-tert-butylsulfanyl-6-methylpyrimidine-4-carboximidamide?
The InChIKey is FZARZHGLNLQRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c1-6-5-7(8(11)12)14-9(13-6)15-10(2,3)4/h5H,1-4H3,(H3,11,12).
What are the key properties of 2-tert-butylsulfanyl-6-methylpyrimidine-4-carboximidamide?
2-tert-butylsulfanyl-6-methylpyrimidine-4-carboximidamide has a molecular weight of 224.33 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-6-methylpyrimidine-4-carboximidamide is sourced from PubChem (CID 107551779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).