2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanimidamide

C9H14N4S — CID 62306169

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanimidamide
SMILES[H]/N=C(\N)C(C)Sc1nc(C)cc(C)n1
InChIInChI=1S/C9H14N4S/c1-5-4-6(2)13-9(12-5)14-7(3)8(10)11/h4,7H,1-3H3,(H3,10,11)
InChIKeyRSBQPYNKOJPBBQ-UHFFFAOYSA-N
MW210.31 g/mol
LogP1.51
Rot. Bonds3

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanimidamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanimidamide (PubChem CID 62306169) has the molecular formula C9H14N4S and a molecular weight of 210.31 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanimidamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanimidamide
PubChem CID62306169
Molecular FormulaC9H14N4S
Molecular Weight210.31 g/mol
Exact Mass210.09
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanimidamide
SMILES[H]/N=C(\N)C(C)Sc1nc(C)cc(C)n1
InChIInChI=1S/C9H14N4S/c1-5-4-6(2)13-9(12-5)14-7(3)8(10)11/h4,7H,1-3H3,(H3,10,11)
InChIKeyRSBQPYNKOJPBBQ-UHFFFAOYSA-N
XLogP1.51
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.31
LogP ≤ 51.51
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-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanimidamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanimidamide (CID 62306169) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanimidamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanimidamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanimidamide is [H]/N=C(\N)C(C)Sc1nc(C)cc(C)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanimidamide?
The InChIKey is RSBQPYNKOJPBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4S/c1-5-4-6(2)13-9(12-5)14-7(3)8(10)11/h4,7H,1-3H3,(H3,10,11).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanimidamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanimidamide has a molecular weight of 210.31 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanimidamide is sourced from PubChem (CID 62306169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).