2-[4-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]acetamide

C13H16ClN5OS — CID 106193237

IUPAC2-[4-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(Nc2nc(Cl)nc3sccc23)CC1
InChIInChI=1S/C13H16ClN5OS/c14-13-17-11(9-3-6-21-12(9)18-13)16-8-1-4-19(5-2-8)7-10(15)20/h3,6,8H,1-2,4-5,7H2,(H2,15,20)(H,16,17,18)
InChIKeyUTGUCFUATLKHJW-UHFFFAOYSA-N
MW325.83 g/mol
LogP1.71
Rot. Bonds4

About 2-[4-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]acetamide

2-[4-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]acetamide (PubChem CID 106193237) has the molecular formula C13H16ClN5OS and a molecular weight of 325.83 g/mol. Its IUPAC name is 2-[4-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]acetamide
PubChem CID106193237
Molecular FormulaC13H16ClN5OS
Molecular Weight325.83 g/mol
Exact Mass325.08
IUPAC Name2-[4-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(Nc2nc(Cl)nc3sccc23)CC1
InChIInChI=1S/C13H16ClN5OS/c14-13-17-11(9-3-6-21-12(9)18-13)16-8-1-4-19(5-2-8)7-10(15)20/h3,6,8H,1-2,4-5,7H2,(H2,15,20)(H,16,17,18)
InChIKeyUTGUCFUATLKHJW-UHFFFAOYSA-N
XLogP1.71
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.83
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]acetamide (CID 106193237) is 2-[4-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]acetamide is NC(=O)CN1CCC(Nc2nc(Cl)nc3sccc23)CC1.
What is the InChIKey of 2-[4-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]acetamide?
The InChIKey is UTGUCFUATLKHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5OS/c14-13-17-11(9-3-6-21-12(9)18-13)16-8-1-4-19(5-2-8)7-10(15)20/h3,6,8H,1-2,4-5,7H2,(H2,15,20)(H,16,17,18).
What are the key properties of 2-[4-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]acetamide?
2-[4-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]acetamide has a molecular weight of 325.83 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]acetamide is sourced from PubChem (CID 106193237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).