2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide

C12H16N6OS2 — CID 23772236

IUPAC2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide
SMILESCCC(Sc1nc(N)cc(N)n1)C(=O)Nc1nc(C)cs1
InChIInChI=1S/C12H16N6OS2/c1-3-7(10(19)18-11-15-6(2)5-20-11)21-12-16-8(13)4-9(14)17-12/h4-5,7H,3H2,1-2H3,(H,15,18,19)(H4,13,14,16,17)
InChIKeyVHVGYFWGQNQODL-UHFFFAOYSA-N
MW324.44 g/mol
LogP1.92
Rot. Bonds5

About 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide

2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 23772236) has the molecular formula C12H16N6OS2 and a molecular weight of 324.44 g/mol. Its IUPAC name is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID23772236
Molecular FormulaC12H16N6OS2
Molecular Weight324.44 g/mol
Exact Mass324.08
IUPAC Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide
SMILESCCC(Sc1nc(N)cc(N)n1)C(=O)Nc1nc(C)cs1
InChIInChI=1S/C12H16N6OS2/c1-3-7(10(19)18-11-15-6(2)5-20-11)21-12-16-8(13)4-9(14)17-12/h4-5,7H,3H2,1-2H3,(H,15,18,19)(H4,13,14,16,17)
InChIKeyVHVGYFWGQNQODL-UHFFFAOYSA-N
XLogP1.92
TPSA119.81 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.44
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4,6-Diamino-pyrimidin-2-ylsulfanyl)-N-(4,5-dimethyl-thiazol-2-yl)-acetamide
CID 3173027
2-((2-amino-5-cyano-6-(methylthio)pyrimidin-4-yl)thio)-N-(4-methylthiazol-2-yl)acetamide
CID 1963634
2-[(4,6-Dimethylpyrimidin-2-YL)sulfanyl]-N-(4-methyl-1,3-thiazol-2-YL)acetamide
CID 2345793
2-[(2-Methyl-1,3-thiazol-4-yl)methylsulfanyl]pyrimidine-4,6-diamine
CID 39046089
2-[1-(2-Propyl-1,3-thiazol-4-yl)ethylsulfanyl]pyrimidine-4,6-diamine
CID 178683480
2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 956543
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 3169630
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 3731797
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide
CID 4664272
N-(4-Methyl-1,3-thiazol-2-YL)-2-(pyrimidin-2-ylsulfanyl)acetamide
CID 9457592
N-[4-(pyrimidin-2-ylthiomethyl)-1,3-thiazol-2-yl]acetamide
CID 16386206
2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
CID 17017878

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide (CID 23772236) is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide is CCC(Sc1nc(N)cc(N)n1)C(=O)Nc1nc(C)cs1.
What is the InChIKey of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is VHVGYFWGQNQODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6OS2/c1-3-7(10(19)18-11-15-6(2)5-20-11)21-12-16-8(13)4-9(14)17-12/h4-5,7H,3H2,1-2H3,(H,15,18,19)(H4,13,14,16,17).
What are the key properties of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide?
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 324.44 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 23772236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).