2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(thiophen-2-ylmethyl)acetamide

C12H13N3O3S — CID 45497052

IUPAC2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCc1cccs1
InChIInChI=1S/C12H13N3O3S/c1-7-9(11(17)15-12(18)14-7)5-10(16)13-6-8-3-2-4-19-8/h2-4H,5-6H2,1H3,(H,13,16)(H2,14,15,17,18)
InChIKeyPDBVQLFZFASROM-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.29
Rot. Bonds4

About 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(thiophen-2-ylmethyl)acetamide

2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 45497052) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID45497052
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCc1cccs1
InChIInChI=1S/C12H13N3O3S/c1-7-9(11(17)15-12(18)14-7)5-10(16)13-6-8-3-2-4-19-8/h2-4H,5-6H2,1H3,(H,13,16)(H2,14,15,17,18)
InChIKeyPDBVQLFZFASROM-UHFFFAOYSA-N
XLogP0.29
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 45497052) is 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(thiophen-2-ylmethyl)acetamide is Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCc1cccs1.
What is the InChIKey of 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is PDBVQLFZFASROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-7-9(11(17)15-12(18)14-7)5-10(16)13-6-8-3-2-4-19-8/h2-4H,5-6H2,1H3,(H,13,16)(H2,14,15,17,18).
What are the key properties of 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(thiophen-2-ylmethyl)acetamide?
2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 279.32 g/mol, XLogP of 0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 45497052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).