2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-tert-butylacetamide

C11H18N4OS — CID 47110965

IUPAC2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-tert-butylacetamide
SMILESCc1cc(N)nc(SCC(=O)NC(C)(C)C)n1
InChIInChI=1S/C11H18N4OS/c1-7-5-8(12)14-10(13-7)17-6-9(16)15-11(2,3)4/h5H,6H2,1-4H3,(H,15,16)(H2,12,13,14)
InChIKeyNKGTVBBLEJOSSL-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.37
Rot. Bonds3

About 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-tert-butylacetamide

2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-tert-butylacetamide (PubChem CID 47110965) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-tert-butylacetamide.

Molecular Properties

Compound Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-tert-butylacetamide
PubChem CID47110965
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-tert-butylacetamide
SMILESCc1cc(N)nc(SCC(=O)NC(C)(C)C)n1
InChIInChI=1S/C11H18N4OS/c1-7-5-8(12)14-10(13-7)17-6-9(16)15-11(2,3)4/h5H,6H2,1-4H3,(H,15,16)(H2,12,13,14)
InChIKeyNKGTVBBLEJOSSL-UHFFFAOYSA-N
XLogP1.37
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide
CID 46554866
methyl 2-(4-amino-6-methylpyrimidin-2-yl)sulfanylacetate
CID 37192190
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide
CID 16560439
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 28602799
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(4-bromophenyl)acetamide
CID 17450187
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 40663166
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate
CID 18228212
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 40663485
4-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-2-methylbutan-2-ol
CID 79176670
3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methylpropanamide
CID 115331106
ethyl 4-[[2-(4-amino-6-methylpyrimidin-2-yl)sulfanylacetyl]amino]butanoate
CID 78909876
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2,5-dichlorophenyl)acetamide
CID 40663127

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-tert-butylacetamide?
The IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-tert-butylacetamide (CID 47110965) is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-tert-butylacetamide.
What is the SMILES notation for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-tert-butylacetamide?
The canonical SMILES for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-tert-butylacetamide is Cc1cc(N)nc(SCC(=O)NC(C)(C)C)n1.
What is the InChIKey of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-tert-butylacetamide?
The InChIKey is NKGTVBBLEJOSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-7-5-8(12)14-10(13-7)17-6-9(16)15-11(2,3)4/h5H,6H2,1-4H3,(H,15,16)(H2,12,13,14).
What are the key properties of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-tert-butylacetamide?
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-tert-butylacetamide has a molecular weight of 254.36 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-tert-butylacetamide is sourced from PubChem (CID 47110965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).