N-tert-butyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide

C12H16N4OS — CID 9450255

IUPACN-tert-butyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide
SMILESCC(C)(C)NC(=O)CNc1ncnc2sccc12
InChIInChI=1S/C12H16N4OS/c1-12(2,3)16-9(17)6-13-10-8-4-5-18-11(8)15-7-14-10/h4-5,7H,6H2,1-3H3,(H,16,17)(H,13,14,15)
InChIKeyAUOACQRDYIUYHM-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.02
Rot. Bonds3

About N-tert-butyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide

N-tert-butyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide (PubChem CID 9450255) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is N-tert-butyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide
PubChem CID9450255
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC NameN-tert-butyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide
SMILESCC(C)(C)NC(=O)CNc1ncnc2sccc12
InChIInChI=1S/C12H16N4OS/c1-12(2,3)16-9(17)6-13-10-8-4-5-18-11(8)15-7-14-10/h4-5,7H,6H2,1-3H3,(H,16,17)(H,13,14,15)
InChIKeyAUOACQRDYIUYHM-UHFFFAOYSA-N
XLogP2.02
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide?
The IUPAC name of N-tert-butyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide (CID 9450255) is N-tert-butyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide.
What is the SMILES notation for N-tert-butyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide?
The canonical SMILES for N-tert-butyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide is CC(C)(C)NC(=O)CNc1ncnc2sccc12.
What is the InChIKey of N-tert-butyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide?
The InChIKey is AUOACQRDYIUYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-12(2,3)16-9(17)6-13-10-8-4-5-18-11(8)15-7-14-10/h4-5,7H,6H2,1-3H3,(H,16,17)(H,13,14,15).
What are the key properties of N-tert-butyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide?
N-tert-butyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide has a molecular weight of 264.35 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide is sourced from PubChem (CID 9450255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).