2-[1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-4-yl]acetamide

C14H19N5OS — CID 62209002

IUPAC2-[1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(Cc2nc(N)c3ccsc3n2)CC1
InChIInChI=1S/C14H19N5OS/c15-11(20)7-9-1-4-19(5-2-9)8-12-17-13(16)10-3-6-21-14(10)18-12/h3,6,9H,1-2,4-5,7-8H2,(H2,15,20)(H2,16,17,18)
InChIKeyOHEYVAORPHRVPS-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.36
Rot. Bonds4

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

2-[1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-4-yl]acetamide (PubChem CID 62209002) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 2-[1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-4-yl]acetamide
PubChem CID62209002
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name2-[1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(Cc2nc(N)c3ccsc3n2)CC1
InChIInChI=1S/C14H19N5OS/c15-11(20)7-9-1-4-19(5-2-9)8-12-17-13(16)10-3-6-21-14(10)18-12/h3,6,9H,1-2,4-5,7-8H2,(H2,15,20)(H2,16,17,18)
InChIKeyOHEYVAORPHRVPS-UHFFFAOYSA-N
XLogP1.36
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-4-yl]acetamide (CID 62209002) is 2-[1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-4-yl]acetamide is NC(=O)CC1CCN(Cc2nc(N)c3ccsc3n2)CC1.
What is the InChIKey of 2-[1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-4-yl]acetamide?
The InChIKey is OHEYVAORPHRVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c15-11(20)7-9-1-4-19(5-2-9)8-12-17-13(16)10-3-6-21-14(10)18-12/h3,6,9H,1-2,4-5,7-8H2,(H2,15,20)(H2,16,17,18).
What are the key properties of 2-[1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-4-yl]acetamide?
2-[1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-4-yl]acetamide has a molecular weight of 305.41 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 62209002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).