N-tert-butyl-2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide

C11H17N3O3S — CID 135449566

IUPACN-tert-butyl-2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide
SMILESCn1c(SCC(=O)NC(C)(C)C)nc(O)cc1=O
InChIInChI=1S/C11H17N3O3S/c1-11(2,3)13-8(16)6-18-10-12-7(15)5-9(17)14(10)4/h5,15H,6H2,1-4H3,(H,13,16)
InChIKeyFNUBHLDYAFWZEM-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.49
Rot. Bonds3

About N-tert-butyl-2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide

N-tert-butyl-2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide (PubChem CID 135449566) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is N-tert-butyl-2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide
PubChem CID135449566
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC NameN-tert-butyl-2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide
SMILESCn1c(SCC(=O)NC(C)(C)C)nc(O)cc1=O
InChIInChI=1S/C11H17N3O3S/c1-11(2,3)13-8(16)6-18-10-12-7(15)5-9(17)14(10)4/h5,15H,6H2,1-4H3,(H,13,16)
InChIKeyFNUBHLDYAFWZEM-UHFFFAOYSA-N
XLogP0.49
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-tert-butyl-2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide (CID 135449566) is N-tert-butyl-2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-tert-butyl-2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-tert-butyl-2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide is Cn1c(SCC(=O)NC(C)(C)C)nc(O)cc1=O.
What is the InChIKey of N-tert-butyl-2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide?
The InChIKey is FNUBHLDYAFWZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-11(2,3)13-8(16)6-18-10-12-7(15)5-9(17)14(10)4/h5,15H,6H2,1-4H3,(H,13,16).
What are the key properties of N-tert-butyl-2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide?
N-tert-butyl-2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide has a molecular weight of 271.34 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 135449566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).