4-[3-chloro-4-(4,6-dimethylpyrimidin-5-yl)phenoxy]thieno[3,2-c]pyridine

C19H14ClN3OS — CID 118470777

IUPAC4-[3-chloro-4-(4,6-dimethylpyrimidin-5-yl)phenoxy]thieno[3,2-c]pyridine
SMILESCc1ncnc(C)c1-c1ccc(Oc2nccc3sccc23)cc1Cl
InChIInChI=1S/C19H14ClN3OS/c1-11-18(12(2)23-10-22-11)14-4-3-13(9-16(14)20)24-19-15-6-8-25-17(15)5-7-21-19/h3-10H,1-2H3
InChIKeyHFYFUWUUNSWGON-UHFFFAOYSA-N
MW367.86 g/mol
LogP5.82
Rot. Bonds3

About 4-[3-chloro-4-(4,6-dimethylpyrimidin-5-yl)phenoxy]thieno[3,2-c]pyridine

4-[3-chloro-4-(4,6-dimethylpyrimidin-5-yl)phenoxy]thieno[3,2-c]pyridine (PubChem CID 118470777) has the molecular formula C19H14ClN3OS and a molecular weight of 367.86 g/mol. Its IUPAC name is 4-[3-chloro-4-(4,6-dimethylpyrimidin-5-yl)phenoxy]thieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-[3-chloro-4-(4,6-dimethylpyrimidin-5-yl)phenoxy]thieno[3,2-c]pyridine
PubChem CID118470777
Molecular FormulaC19H14ClN3OS
Molecular Weight367.86 g/mol
Exact Mass367.05
IUPAC Name4-[3-chloro-4-(4,6-dimethylpyrimidin-5-yl)phenoxy]thieno[3,2-c]pyridine
SMILESCc1ncnc(C)c1-c1ccc(Oc2nccc3sccc23)cc1Cl
InChIInChI=1S/C19H14ClN3OS/c1-11-18(12(2)23-10-22-11)14-4-3-13(9-16(14)20)24-19-15-6-8-25-17(15)5-7-21-19/h3-10H,1-2H3
InChIKeyHFYFUWUUNSWGON-UHFFFAOYSA-N
XLogP5.82
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.86
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-4-(4,6-dimethylpyrimidin-5-yl)phenoxy]thieno[3,2-c]pyridine?
The IUPAC name of 4-[3-chloro-4-(4,6-dimethylpyrimidin-5-yl)phenoxy]thieno[3,2-c]pyridine (CID 118470777) is 4-[3-chloro-4-(4,6-dimethylpyrimidin-5-yl)phenoxy]thieno[3,2-c]pyridine.
What is the SMILES notation for 4-[3-chloro-4-(4,6-dimethylpyrimidin-5-yl)phenoxy]thieno[3,2-c]pyridine?
The canonical SMILES for 4-[3-chloro-4-(4,6-dimethylpyrimidin-5-yl)phenoxy]thieno[3,2-c]pyridine is Cc1ncnc(C)c1-c1ccc(Oc2nccc3sccc23)cc1Cl.
What is the InChIKey of 4-[3-chloro-4-(4,6-dimethylpyrimidin-5-yl)phenoxy]thieno[3,2-c]pyridine?
The InChIKey is HFYFUWUUNSWGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3OS/c1-11-18(12(2)23-10-22-11)14-4-3-13(9-16(14)20)24-19-15-6-8-25-17(15)5-7-21-19/h3-10H,1-2H3.
What are the key properties of 4-[3-chloro-4-(4,6-dimethylpyrimidin-5-yl)phenoxy]thieno[3,2-c]pyridine?
4-[3-chloro-4-(4,6-dimethylpyrimidin-5-yl)phenoxy]thieno[3,2-c]pyridine has a molecular weight of 367.86 g/mol, XLogP of 5.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-4-(4,6-dimethylpyrimidin-5-yl)phenoxy]thieno[3,2-c]pyridine is sourced from PubChem (CID 118470777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).