4-(4-chlorophenyl)sulfanyl-5-methoxy-2-pyridin-2-ylpyrimidine

C16H12ClN3OS — CID 1487214

IUPAC4-(4-chlorophenyl)sulfanyl-5-methoxy-2-pyridin-2-ylpyrimidine
SMILESCOc1cnc(-c2ccccn2)nc1Sc1ccc(Cl)cc1
InChIInChI=1S/C16H12ClN3OS/c1-21-14-10-19-15(13-4-2-3-9-18-13)20-16(14)22-12-7-5-11(17)6-8-12/h2-10H,1H3
InChIKeyLZZXJXVVDIPROL-UHFFFAOYSA-N
MW329.81 g/mol
LogP4.35
Rot. Bonds4

About 4-(4-chlorophenyl)sulfanyl-5-methoxy-2-pyridin-2-ylpyrimidine

4-(4-chlorophenyl)sulfanyl-5-methoxy-2-pyridin-2-ylpyrimidine (PubChem CID 1487214) has the molecular formula C16H12ClN3OS and a molecular weight of 329.81 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfanyl-5-methoxy-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfanyl-5-methoxy-2-pyridin-2-ylpyrimidine
PubChem CID1487214
Molecular FormulaC16H12ClN3OS
Molecular Weight329.81 g/mol
Exact Mass329.04
IUPAC Name4-(4-chlorophenyl)sulfanyl-5-methoxy-2-pyridin-2-ylpyrimidine
SMILESCOc1cnc(-c2ccccn2)nc1Sc1ccc(Cl)cc1
InChIInChI=1S/C16H12ClN3OS/c1-21-14-10-19-15(13-4-2-3-9-18-13)20-16(14)22-12-7-5-11(17)6-8-12/h2-10H,1H3
InChIKeyLZZXJXVVDIPROL-UHFFFAOYSA-N
XLogP4.35
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfanyl-5-methoxy-2-pyridin-2-ylpyrimidine?
The IUPAC name of 4-(4-chlorophenyl)sulfanyl-5-methoxy-2-pyridin-2-ylpyrimidine (CID 1487214) is 4-(4-chlorophenyl)sulfanyl-5-methoxy-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4-(4-chlorophenyl)sulfanyl-5-methoxy-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4-(4-chlorophenyl)sulfanyl-5-methoxy-2-pyridin-2-ylpyrimidine is COc1cnc(-c2ccccn2)nc1Sc1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)sulfanyl-5-methoxy-2-pyridin-2-ylpyrimidine?
The InChIKey is LZZXJXVVDIPROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3OS/c1-21-14-10-19-15(13-4-2-3-9-18-13)20-16(14)22-12-7-5-11(17)6-8-12/h2-10H,1H3.
What are the key properties of 4-(4-chlorophenyl)sulfanyl-5-methoxy-2-pyridin-2-ylpyrimidine?
4-(4-chlorophenyl)sulfanyl-5-methoxy-2-pyridin-2-ylpyrimidine has a molecular weight of 329.81 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfanyl-5-methoxy-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 1487214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).