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

C13H21N3O2S — CID 135517760

IUPACN-tert-butyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)NC(C)(C)C)n1
InChIInChI=1S/C13H21N3O2S/c1-5-6-9-7-10(17)15-12(14-9)19-8-11(18)16-13(2,3)4/h7H,5-6,8H2,1-4H3,(H,16,18)(H,14,15,17)
InChIKeyUPWVBAXHRQNZJO-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.73
Rot. Bonds5

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

N-tert-butyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 135517760) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-tert-butyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID135517760
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-tert-butyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)NC(C)(C)C)n1
InChIInChI=1S/C13H21N3O2S/c1-5-6-9-7-10(17)15-12(14-9)19-8-11(18)16-13(2,3)4/h7H,5-6,8H2,1-4H3,(H,16,18)(H,14,15,17)
InChIKeyUPWVBAXHRQNZJO-UHFFFAOYSA-N
XLogP1.73
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.73
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-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-tert-butyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 135517760) is N-tert-butyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-tert-butyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide is CCCc1cc(=O)[nH]c(SCC(=O)NC(C)(C)C)n1.
What is the InChIKey of N-tert-butyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is UPWVBAXHRQNZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-5-6-9-7-10(17)15-12(14-9)19-8-11(18)16-13(2,3)4/h7H,5-6,8H2,1-4H3,(H,16,18)(H,14,15,17).
What are the key properties of N-tert-butyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-tert-butyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 283.40 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135517760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).