N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)pentanamide

C13H17N3O2S — CID 17418394

IUPACN-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)pentanamide
SMILESCCCCC(=O)Nn1cnc2sc(C)c(C)c2c1=O
InChIInChI=1S/C13H17N3O2S/c1-4-5-6-10(17)15-16-7-14-12-11(13(16)18)8(2)9(3)19-12/h7H,4-6H2,1-3H3,(H,15,17)
InChIKeyQHOUZTWXWOGLJT-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.34
Rot. Bonds4

About N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)pentanamide

N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)pentanamide (PubChem CID 17418394) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)pentanamide.

Molecular Properties

Compound NameN-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)pentanamide
PubChem CID17418394
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)pentanamide
SMILESCCCCC(=O)Nn1cnc2sc(C)c(C)c2c1=O
InChIInChI=1S/C13H17N3O2S/c1-4-5-6-10(17)15-16-7-14-12-11(13(16)18)8(2)9(3)19-12/h7H,4-6H2,1-3H3,(H,15,17)
InChIKeyQHOUZTWXWOGLJT-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)pentanamide?
The IUPAC name of N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)pentanamide (CID 17418394) is N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)pentanamide.
What is the SMILES notation for N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)pentanamide?
The canonical SMILES for N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)pentanamide is CCCCC(=O)Nn1cnc2sc(C)c(C)c2c1=O.
What is the InChIKey of N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)pentanamide?
The InChIKey is QHOUZTWXWOGLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-4-5-6-10(17)15-16-7-14-12-11(13(16)18)8(2)9(3)19-12/h7H,4-6H2,1-3H3,(H,15,17).
What are the key properties of N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)pentanamide?
N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)pentanamide has a molecular weight of 279.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)pentanamide is sourced from PubChem (CID 17418394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).