N-tert-butyl-2-pyrimidin-2-ylsulfanylacetamide

C10H15N3OS — CID 702529

IUPACN-tert-butyl-2-pyrimidin-2-ylsulfanylacetamide
SMILESCC(C)(C)NC(=O)CSc1ncccn1
InChIInChI=1S/C10H15N3OS/c1-10(2,3)13-8(14)7-15-9-11-5-4-6-12-9/h4-6H,7H2,1-3H3,(H,13,14)
InChIKeyNCXICYPMBDKMLN-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.48
Rot. Bonds3

About N-tert-butyl-2-pyrimidin-2-ylsulfanylacetamide

N-tert-butyl-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 702529) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is N-tert-butyl-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID702529
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC NameN-tert-butyl-2-pyrimidin-2-ylsulfanylacetamide
SMILESCC(C)(C)NC(=O)CSc1ncccn1
InChIInChI=1S/C10H15N3OS/c1-10(2,3)13-8(14)7-15-9-11-5-4-6-12-9/h4-6H,7H2,1-3H3,(H,13,14)
InChIKeyNCXICYPMBDKMLN-UHFFFAOYSA-N
XLogP1.48
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-tert-butyl-2-pyrimidin-2-ylsulfanylacetamide (CID 702529) is N-tert-butyl-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-tert-butyl-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-tert-butyl-2-pyrimidin-2-ylsulfanylacetamide is CC(C)(C)NC(=O)CSc1ncccn1.
What is the InChIKey of N-tert-butyl-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is NCXICYPMBDKMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-10(2,3)13-8(14)7-15-9-11-5-4-6-12-9/h4-6H,7H2,1-3H3,(H,13,14).
What are the key properties of N-tert-butyl-2-pyrimidin-2-ylsulfanylacetamide?
N-tert-butyl-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 225.32 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 702529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).