4-(4-chlorophenyl)sulfanyl-6-methyl-2-pyridin-2-ylpyrimidine

C16H12ClN3S — CID 2725933

IUPAC4-(4-chlorophenyl)sulfanyl-6-methyl-2-pyridin-2-ylpyrimidine
SMILESCc1cc(Sc2ccc(Cl)cc2)nc(-c2ccccn2)n1
InChIInChI=1S/C16H12ClN3S/c1-11-10-15(21-13-7-5-12(17)6-8-13)20-16(19-11)14-4-2-3-9-18-14/h2-10H,1H3
InChIKeyRFKZLAHCDUPOMC-UHFFFAOYSA-N
MW313.81 g/mol
LogP4.65
Rot. Bonds3

About 4-(4-chlorophenyl)sulfanyl-6-methyl-2-pyridin-2-ylpyrimidine

4-(4-chlorophenyl)sulfanyl-6-methyl-2-pyridin-2-ylpyrimidine (PubChem CID 2725933) has the molecular formula C16H12ClN3S and a molecular weight of 313.81 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfanyl-6-methyl-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfanyl-6-methyl-2-pyridin-2-ylpyrimidine
PubChem CID2725933
Molecular FormulaC16H12ClN3S
Molecular Weight313.81 g/mol
Exact Mass313.04
IUPAC Name4-(4-chlorophenyl)sulfanyl-6-methyl-2-pyridin-2-ylpyrimidine
SMILESCc1cc(Sc2ccc(Cl)cc2)nc(-c2ccccn2)n1
InChIInChI=1S/C16H12ClN3S/c1-11-10-15(21-13-7-5-12(17)6-8-13)20-16(19-11)14-4-2-3-9-18-14/h2-10H,1H3
InChIKeyRFKZLAHCDUPOMC-UHFFFAOYSA-N
XLogP4.65
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.81
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfanyl-6-methyl-2-pyridin-2-ylpyrimidine?
The IUPAC name of 4-(4-chlorophenyl)sulfanyl-6-methyl-2-pyridin-2-ylpyrimidine (CID 2725933) is 4-(4-chlorophenyl)sulfanyl-6-methyl-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4-(4-chlorophenyl)sulfanyl-6-methyl-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4-(4-chlorophenyl)sulfanyl-6-methyl-2-pyridin-2-ylpyrimidine is Cc1cc(Sc2ccc(Cl)cc2)nc(-c2ccccn2)n1.
What is the InChIKey of 4-(4-chlorophenyl)sulfanyl-6-methyl-2-pyridin-2-ylpyrimidine?
The InChIKey is RFKZLAHCDUPOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3S/c1-11-10-15(21-13-7-5-12(17)6-8-13)20-16(19-11)14-4-2-3-9-18-14/h2-10H,1H3.
What are the key properties of 4-(4-chlorophenyl)sulfanyl-6-methyl-2-pyridin-2-ylpyrimidine?
4-(4-chlorophenyl)sulfanyl-6-methyl-2-pyridin-2-ylpyrimidine has a molecular weight of 313.81 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfanyl-6-methyl-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 2725933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).