N-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]acetamide

C14H10BrClN4O2S — CID 122432333

IUPACN-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]acetamide
SMILESCOc1ncc(-c2nc(Cl)nc3c(Br)csc23)cc1NC(C)=O
InChIInChI=1S/C14H10BrClN4O2S/c1-6(21)18-9-3-7(4-17-13(9)22-2)10-12-11(8(15)5-23-12)20-14(16)19-10/h3-5H,1-2H3,(H,18,21)
InChIKeyZCGJSEUHOODOAU-UHFFFAOYSA-N
MW413.68 g/mol
LogP4.14
Rot. Bonds3

About N-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]acetamide

N-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]acetamide (PubChem CID 122432333) has the molecular formula C14H10BrClN4O2S and a molecular weight of 413.68 g/mol. Its IUPAC name is N-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]acetamide
PubChem CID122432333
Molecular FormulaC14H10BrClN4O2S
Molecular Weight413.68 g/mol
Exact Mass411.94
IUPAC NameN-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]acetamide
SMILESCOc1ncc(-c2nc(Cl)nc3c(Br)csc23)cc1NC(C)=O
InChIInChI=1S/C14H10BrClN4O2S/c1-6(21)18-9-3-7(4-17-13(9)22-2)10-12-11(8(15)5-23-12)20-14(16)19-10/h3-5H,1-2H3,(H,18,21)
InChIKeyZCGJSEUHOODOAU-UHFFFAOYSA-N
XLogP4.14
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.68
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]acetamide?
The IUPAC name of N-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]acetamide (CID 122432333) is N-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]acetamide.
What is the SMILES notation for N-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]acetamide?
The canonical SMILES for N-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]acetamide is COc1ncc(-c2nc(Cl)nc3c(Br)csc23)cc1NC(C)=O.
What is the InChIKey of N-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]acetamide?
The InChIKey is ZCGJSEUHOODOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN4O2S/c1-6(21)18-9-3-7(4-17-13(9)22-2)10-12-11(8(15)5-23-12)20-14(16)19-10/h3-5H,1-2H3,(H,18,21).
What are the key properties of N-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]acetamide?
N-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]acetamide has a molecular weight of 413.68 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]acetamide is sourced from PubChem (CID 122432333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).