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

C13H18N4OS — CID 8566631

IUPACN-tert-butyl-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)c1ncnc2sccc12
InChIInChI=1S/C13H18N4OS/c1-13(2,3)16-10(18)7-17(4)11-9-5-6-19-12(9)15-8-14-11/h5-6,8H,7H2,1-4H3,(H,16,18)
InChIKeyJWNZSGDZPWFCAX-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.04
Rot. Bonds3

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

N-tert-butyl-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide (PubChem CID 8566631) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is N-tert-butyl-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide
PubChem CID8566631
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC NameN-tert-butyl-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)c1ncnc2sccc12
InChIInChI=1S/C13H18N4OS/c1-13(2,3)16-10(18)7-17(4)11-9-5-6-19-12(9)15-8-14-11/h5-6,8H,7H2,1-4H3,(H,16,18)
InChIKeyJWNZSGDZPWFCAX-UHFFFAOYSA-N
XLogP2.04
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide (CID 8566631) is N-tert-butyl-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide is CN(CC(=O)NC(C)(C)C)c1ncnc2sccc12.
What is the InChIKey of N-tert-butyl-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
The InChIKey is JWNZSGDZPWFCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-13(2,3)16-10(18)7-17(4)11-9-5-6-19-12(9)15-8-14-11/h5-6,8H,7H2,1-4H3,(H,16,18).
What are the key properties of N-tert-butyl-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
N-tert-butyl-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide has a molecular weight of 278.38 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide is sourced from PubChem (CID 8566631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).