N-(1-methoxypropan-2-yl)-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide

C13H17N3O3S — CID 102685858

IUPACN-(1-methoxypropan-2-yl)-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
SMILESCOCC(C)NC(=O)Cn1cnc2c(C)csc2c1=O
InChIInChI=1S/C13H17N3O3S/c1-8-6-20-12-11(8)14-7-16(13(12)18)4-10(17)15-9(2)5-19-3/h6-7,9H,4-5H2,1-3H3,(H,15,17)
InChIKeyKDRLOOQISIAHIU-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.92
Rot. Bonds5

About N-(1-methoxypropan-2-yl)-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide

N-(1-methoxypropan-2-yl)-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide (PubChem CID 102685858) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
PubChem CID102685858
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-(1-methoxypropan-2-yl)-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
SMILESCOCC(C)NC(=O)Cn1cnc2c(C)csc2c1=O
InChIInChI=1S/C13H17N3O3S/c1-8-6-20-12-11(8)14-7-16(13(12)18)4-10(17)15-9(2)5-19-3/h6-7,9H,4-5H2,1-3H3,(H,15,17)
InChIKeyKDRLOOQISIAHIU-UHFFFAOYSA-N
XLogP0.92
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide (CID 102685858) is N-(1-methoxypropan-2-yl)-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide is COCC(C)NC(=O)Cn1cnc2c(C)csc2c1=O.
What is the InChIKey of N-(1-methoxypropan-2-yl)-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide?
The InChIKey is KDRLOOQISIAHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-8-6-20-12-11(8)14-7-16(13(12)18)4-10(17)15-9(2)5-19-3/h6-7,9H,4-5H2,1-3H3,(H,15,17).
What are the key properties of N-(1-methoxypropan-2-yl)-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide?
N-(1-methoxypropan-2-yl)-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide has a molecular weight of 295.36 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 102685858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).