N-(2-methylsulfanyl-6-propoxypyrimidin-4-yl)acetamide

C10H15N3O2S — CID 24768437

IUPACN-(2-methylsulfanyl-6-propoxypyrimidin-4-yl)acetamide
SMILESCCCOc1cc(NC(C)=O)nc(SC)n1
InChIInChI=1S/C10H15N3O2S/c1-4-5-15-9-6-8(11-7(2)14)12-10(13-9)16-3/h6H,4-5H2,1-3H3,(H,11,12,13,14)
InChIKeySXTYNRQUEVYKGM-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.95
Rot. Bonds5

About N-(2-methylsulfanyl-6-propoxypyrimidin-4-yl)acetamide

N-(2-methylsulfanyl-6-propoxypyrimidin-4-yl)acetamide (PubChem CID 24768437) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is N-(2-methylsulfanyl-6-propoxypyrimidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-methylsulfanyl-6-propoxypyrimidin-4-yl)acetamide
PubChem CID24768437
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC NameN-(2-methylsulfanyl-6-propoxypyrimidin-4-yl)acetamide
SMILESCCCOc1cc(NC(C)=O)nc(SC)n1
InChIInChI=1S/C10H15N3O2S/c1-4-5-15-9-6-8(11-7(2)14)12-10(13-9)16-3/h6H,4-5H2,1-3H3,(H,11,12,13,14)
InChIKeySXTYNRQUEVYKGM-UHFFFAOYSA-N
XLogP1.95
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanyl-6-propoxypyrimidin-4-yl)acetamide?
The IUPAC name of N-(2-methylsulfanyl-6-propoxypyrimidin-4-yl)acetamide (CID 24768437) is N-(2-methylsulfanyl-6-propoxypyrimidin-4-yl)acetamide.
What is the SMILES notation for N-(2-methylsulfanyl-6-propoxypyrimidin-4-yl)acetamide?
The canonical SMILES for N-(2-methylsulfanyl-6-propoxypyrimidin-4-yl)acetamide is CCCOc1cc(NC(C)=O)nc(SC)n1.
What is the InChIKey of N-(2-methylsulfanyl-6-propoxypyrimidin-4-yl)acetamide?
The InChIKey is SXTYNRQUEVYKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-4-5-15-9-6-8(11-7(2)14)12-10(13-9)16-3/h6H,4-5H2,1-3H3,(H,11,12,13,14).
What are the key properties of N-(2-methylsulfanyl-6-propoxypyrimidin-4-yl)acetamide?
N-(2-methylsulfanyl-6-propoxypyrimidin-4-yl)acetamide has a molecular weight of 241.32 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanyl-6-propoxypyrimidin-4-yl)acetamide is sourced from PubChem (CID 24768437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).