N-butan-2-yl-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

C13H17N3O2S — CID 3243636

IUPACN-butan-2-yl-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCCC(C)NC(=O)Cn1cnc2sc(C)cc2c1=O
InChIInChI=1S/C13H17N3O2S/c1-4-8(2)15-11(17)6-16-7-14-12-10(13(16)18)5-9(3)19-12/h5,7-8H,4,6H2,1-3H3,(H,15,17)
InChIKeyZUVFOOYJEDNZQO-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.68
Rot. Bonds4

About N-butan-2-yl-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

N-butan-2-yl-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 3243636) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-butan-2-yl-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID3243636
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-butan-2-yl-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCCC(C)NC(=O)Cn1cnc2sc(C)cc2c1=O
InChIInChI=1S/C13H17N3O2S/c1-4-8(2)15-11(17)6-16-7-14-12-10(13(16)18)5-9(3)19-12/h5,7-8H,4,6H2,1-3H3,(H,15,17)
InChIKeyZUVFOOYJEDNZQO-UHFFFAOYSA-N
XLogP1.68
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-butan-2-yl-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (CID 3243636) is N-butan-2-yl-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-butan-2-yl-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is CCC(C)NC(=O)Cn1cnc2sc(C)cc2c1=O.
What is the InChIKey of N-butan-2-yl-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is ZUVFOOYJEDNZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-4-8(2)15-11(17)6-16-7-14-12-10(13(16)18)5-9(3)19-12/h5,7-8H,4,6H2,1-3H3,(H,15,17).
What are the key properties of N-butan-2-yl-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
N-butan-2-yl-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 279.37 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 3243636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).