N-tert-butyl-2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

C12H19N3O2S — CID 135561861

IUPACN-tert-butyl-2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCc1nc(SCC(=O)NC(C)(C)C)[nH]c(=O)c1C
InChIInChI=1S/C12H19N3O2S/c1-7-8(2)13-11(14-10(7)17)18-6-9(16)15-12(3,4)5/h6H2,1-5H3,(H,15,16)(H,13,14,17)
InChIKeyGJRAJGUTMZWZCN-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.39
Rot. Bonds3

About N-tert-butyl-2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

N-tert-butyl-2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 135561861) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-tert-butyl-2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID135561861
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-tert-butyl-2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCc1nc(SCC(=O)NC(C)(C)C)[nH]c(=O)c1C
InChIInChI=1S/C12H19N3O2S/c1-7-8(2)13-11(14-10(7)17)18-6-9(16)15-12(3,4)5/h6H2,1-5H3,(H,15,16)(H,13,14,17)
InChIKeyGJRAJGUTMZWZCN-UHFFFAOYSA-N
XLogP1.39
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-tert-butyl-2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 135561861) is N-tert-butyl-2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-tert-butyl-2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is Cc1nc(SCC(=O)NC(C)(C)C)[nH]c(=O)c1C.
What is the InChIKey of N-tert-butyl-2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is GJRAJGUTMZWZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-7-8(2)13-11(14-10(7)17)18-6-9(16)15-12(3,4)5/h6H2,1-5H3,(H,15,16)(H,13,14,17).
What are the key properties of N-tert-butyl-2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-tert-butyl-2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 269.37 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135561861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).