5-chloro-N-[1-[(6-chloro-2-pyridinyl)oxy]propan-2-yl]thieno[2,3-d]pyrimidin-4-amine

C14H12Cl2N4OS — CID 58629056

IUPAC5-chloro-N-[1-[(6-chloro-2-pyridinyl)oxy]propan-2-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESCC(COc1cccc(Cl)n1)Nc1ncnc2scc(Cl)c12
InChIInChI=1S/C14H12Cl2N4OS/c1-8(5-21-11-4-2-3-10(16)20-11)19-13-12-9(15)6-22-14(12)18-7-17-13/h2-4,6-8H,5H2,1H3,(H,17,18,19)
InChIKeyMDWTZVXRGAEBKO-UHFFFAOYSA-N
MW355.25 g/mol
LogP4.27
Rot. Bonds5

About 5-chloro-N-[1-[(6-chloro-2-pyridinyl)oxy]propan-2-yl]thieno[2,3-d]pyrimidin-4-amine

5-chloro-N-[1-[(6-chloro-2-pyridinyl)oxy]propan-2-yl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 58629056) has the molecular formula C14H12Cl2N4OS and a molecular weight of 355.25 g/mol. Its IUPAC name is 5-chloro-N-[1-[(6-chloro-2-pyridinyl)oxy]propan-2-yl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[1-[(6-chloro-2-pyridinyl)oxy]propan-2-yl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID58629056
Molecular FormulaC14H12Cl2N4OS
Molecular Weight355.25 g/mol
Exact Mass354.01
IUPAC Name5-chloro-N-[1-[(6-chloro-2-pyridinyl)oxy]propan-2-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESCC(COc1cccc(Cl)n1)Nc1ncnc2scc(Cl)c12
InChIInChI=1S/C14H12Cl2N4OS/c1-8(5-21-11-4-2-3-10(16)20-11)19-13-12-9(15)6-22-14(12)18-7-17-13/h2-4,6-8H,5H2,1H3,(H,17,18,19)
InChIKeyMDWTZVXRGAEBKO-UHFFFAOYSA-N
XLogP4.27
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.25
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-[(6-chloro-2-pyridinyl)oxy]propan-2-yl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[1-[(6-chloro-2-pyridinyl)oxy]propan-2-yl]thieno[2,3-d]pyrimidin-4-amine (CID 58629056) is 5-chloro-N-[1-[(6-chloro-2-pyridinyl)oxy]propan-2-yl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[1-[(6-chloro-2-pyridinyl)oxy]propan-2-yl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[1-[(6-chloro-2-pyridinyl)oxy]propan-2-yl]thieno[2,3-d]pyrimidin-4-amine is CC(COc1cccc(Cl)n1)Nc1ncnc2scc(Cl)c12.
What is the InChIKey of 5-chloro-N-[1-[(6-chloro-2-pyridinyl)oxy]propan-2-yl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MDWTZVXRGAEBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4OS/c1-8(5-21-11-4-2-3-10(16)20-11)19-13-12-9(15)6-22-14(12)18-7-17-13/h2-4,6-8H,5H2,1H3,(H,17,18,19).
What are the key properties of 5-chloro-N-[1-[(6-chloro-2-pyridinyl)oxy]propan-2-yl]thieno[2,3-d]pyrimidin-4-amine?
5-chloro-N-[1-[(6-chloro-2-pyridinyl)oxy]propan-2-yl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 355.25 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-[(6-chloro-2-pyridinyl)oxy]propan-2-yl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 58629056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).