4-(2,6-dichlorophenyl)sulfanyl-5-methoxy-2-pyridin-2-ylpyrimidine

C16H11Cl2N3OS — CID 1470823

IUPAC4-(2,6-dichlorophenyl)sulfanyl-5-methoxy-2-pyridin-2-ylpyrimidine
SMILESCOc1cnc(-c2ccccn2)nc1Sc1c(Cl)cccc1Cl
InChIInChI=1S/C16H11Cl2N3OS/c1-22-13-9-20-15(12-7-2-3-8-19-12)21-16(13)23-14-10(17)5-4-6-11(14)18/h2-9H,1H3
InChIKeyUUDMVIMMEVTSAD-UHFFFAOYSA-N
MW364.26 g/mol
LogP5.01
Rot. Bonds4

About 4-(2,6-dichlorophenyl)sulfanyl-5-methoxy-2-pyridin-2-ylpyrimidine

4-(2,6-dichlorophenyl)sulfanyl-5-methoxy-2-pyridin-2-ylpyrimidine (PubChem CID 1470823) has the molecular formula C16H11Cl2N3OS and a molecular weight of 364.26 g/mol. Its IUPAC name is 4-(2,6-dichlorophenyl)sulfanyl-5-methoxy-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4-(2,6-dichlorophenyl)sulfanyl-5-methoxy-2-pyridin-2-ylpyrimidine
PubChem CID1470823
Molecular FormulaC16H11Cl2N3OS
Molecular Weight364.26 g/mol
Exact Mass363.00
IUPAC Name4-(2,6-dichlorophenyl)sulfanyl-5-methoxy-2-pyridin-2-ylpyrimidine
SMILESCOc1cnc(-c2ccccn2)nc1Sc1c(Cl)cccc1Cl
InChIInChI=1S/C16H11Cl2N3OS/c1-22-13-9-20-15(12-7-2-3-8-19-12)21-16(13)23-14-10(17)5-4-6-11(14)18/h2-9H,1H3
InChIKeyUUDMVIMMEVTSAD-UHFFFAOYSA-N
XLogP5.01
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.26
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichlorophenyl)sulfanyl-5-methoxy-2-pyridin-2-ylpyrimidine?
The IUPAC name of 4-(2,6-dichlorophenyl)sulfanyl-5-methoxy-2-pyridin-2-ylpyrimidine (CID 1470823) is 4-(2,6-dichlorophenyl)sulfanyl-5-methoxy-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4-(2,6-dichlorophenyl)sulfanyl-5-methoxy-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4-(2,6-dichlorophenyl)sulfanyl-5-methoxy-2-pyridin-2-ylpyrimidine is COc1cnc(-c2ccccn2)nc1Sc1c(Cl)cccc1Cl.
What is the InChIKey of 4-(2,6-dichlorophenyl)sulfanyl-5-methoxy-2-pyridin-2-ylpyrimidine?
The InChIKey is UUDMVIMMEVTSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3OS/c1-22-13-9-20-15(12-7-2-3-8-19-12)21-16(13)23-14-10(17)5-4-6-11(14)18/h2-9H,1H3.
What are the key properties of 4-(2,6-dichlorophenyl)sulfanyl-5-methoxy-2-pyridin-2-ylpyrimidine?
4-(2,6-dichlorophenyl)sulfanyl-5-methoxy-2-pyridin-2-ylpyrimidine has a molecular weight of 364.26 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichlorophenyl)sulfanyl-5-methoxy-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 1470823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).