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

C13H17N3O3S — CID 24658861

IUPACN-(1-methoxypropan-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
SMILESCOCC(C)NC(=O)CCn1cnc2sccc2c1=O
InChIInChI=1S/C13H17N3O3S/c1-9(7-19-2)15-11(17)3-5-16-8-14-12-10(13(16)18)4-6-20-12/h4,6,8-9H,3,5,7H2,1-2H3,(H,15,17)
InChIKeyFFJYUYQXQLIHFC-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.00
Rot. Bonds6

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

N-(1-methoxypropan-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide (PubChem CID 24658861) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
PubChem CID24658861
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-(1-methoxypropan-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
SMILESCOCC(C)NC(=O)CCn1cnc2sccc2c1=O
InChIInChI=1S/C13H17N3O3S/c1-9(7-19-2)15-11(17)3-5-16-8-14-12-10(13(16)18)4-6-20-12/h4,6,8-9H,3,5,7H2,1-2H3,(H,15,17)
InChIKeyFFJYUYQXQLIHFC-UHFFFAOYSA-N
XLogP1.00
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.00
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)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide (CID 24658861) is N-(1-methoxypropan-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide is COCC(C)NC(=O)CCn1cnc2sccc2c1=O.
What is the InChIKey of N-(1-methoxypropan-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The InChIKey is FFJYUYQXQLIHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-9(7-19-2)15-11(17)3-5-16-8-14-12-10(13(16)18)4-6-20-12/h4,6,8-9H,3,5,7H2,1-2H3,(H,15,17).
What are the key properties of N-(1-methoxypropan-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
N-(1-methoxypropan-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide has a molecular weight of 295.36 g/mol, XLogP of 1.00, 6 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)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide is sourced from PubChem (CID 24658861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).