2-(4-methyl-6-oxopyrimidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide

C12H13N3O2S — CID 45496930

IUPAC2-(4-methyl-6-oxopyrimidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1cc(=O)n(CC(=O)NCc2cccs2)cn1
InChIInChI=1S/C12H13N3O2S/c1-9-5-12(17)15(8-14-9)7-11(16)13-6-10-3-2-4-18-10/h2-5,8H,6-7H2,1H3,(H,13,16)
InChIKeyWWZWATIXOHEEDD-UHFFFAOYSA-N
MW263.32 g/mol
LogP0.93
Rot. Bonds4

About 2-(4-methyl-6-oxopyrimidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide

2-(4-methyl-6-oxopyrimidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 45496930) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-(4-methyl-6-oxopyrimidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-6-oxopyrimidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID45496930
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name2-(4-methyl-6-oxopyrimidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1cc(=O)n(CC(=O)NCc2cccs2)cn1
InChIInChI=1S/C12H13N3O2S/c1-9-5-12(17)15(8-14-9)7-11(16)13-6-10-3-2-4-18-10/h2-5,8H,6-7H2,1H3,(H,13,16)
InChIKeyWWZWATIXOHEEDD-UHFFFAOYSA-N
XLogP0.93
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-oxopyrimidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-methyl-6-oxopyrimidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 45496930) is 2-(4-methyl-6-oxopyrimidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-methyl-6-oxopyrimidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-methyl-6-oxopyrimidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide is Cc1cc(=O)n(CC(=O)NCc2cccs2)cn1.
What is the InChIKey of 2-(4-methyl-6-oxopyrimidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is WWZWATIXOHEEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-9-5-12(17)15(8-14-9)7-11(16)13-6-10-3-2-4-18-10/h2-5,8H,6-7H2,1H3,(H,13,16).
What are the key properties of 2-(4-methyl-6-oxopyrimidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
2-(4-methyl-6-oxopyrimidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 263.32 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-oxopyrimidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 45496930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).