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

C17H15N3OS — CID 1470825

IUPAC5-methoxy-4-(4-methylphenyl)sulfanyl-2-pyridin-2-ylpyrimidine
SMILESCOc1cnc(-c2ccccn2)nc1Sc1ccc(C)cc1
InChIInChI=1S/C17H15N3OS/c1-12-6-8-13(9-7-12)22-17-15(21-2)11-19-16(20-17)14-5-3-4-10-18-14/h3-11H,1-2H3
InChIKeyTYVJSAXUBHZRDD-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.01
Rot. Bonds4

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

5-methoxy-4-(4-methylphenyl)sulfanyl-2-pyridin-2-ylpyrimidine (PubChem CID 1470825) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is 5-methoxy-4-(4-methylphenyl)sulfanyl-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name5-methoxy-4-(4-methylphenyl)sulfanyl-2-pyridin-2-ylpyrimidine
PubChem CID1470825
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC Name5-methoxy-4-(4-methylphenyl)sulfanyl-2-pyridin-2-ylpyrimidine
SMILESCOc1cnc(-c2ccccn2)nc1Sc1ccc(C)cc1
InChIInChI=1S/C17H15N3OS/c1-12-6-8-13(9-7-12)22-17-15(21-2)11-19-16(20-17)14-5-3-4-10-18-14/h3-11H,1-2H3
InChIKeyTYVJSAXUBHZRDD-UHFFFAOYSA-N
XLogP4.01
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(4-methylphenyl)sulfanyl-2-pyridin-2-ylpyrimidine?
The IUPAC name of 5-methoxy-4-(4-methylphenyl)sulfanyl-2-pyridin-2-ylpyrimidine (CID 1470825) is 5-methoxy-4-(4-methylphenyl)sulfanyl-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 5-methoxy-4-(4-methylphenyl)sulfanyl-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 5-methoxy-4-(4-methylphenyl)sulfanyl-2-pyridin-2-ylpyrimidine is COc1cnc(-c2ccccn2)nc1Sc1ccc(C)cc1.
What is the InChIKey of 5-methoxy-4-(4-methylphenyl)sulfanyl-2-pyridin-2-ylpyrimidine?
The InChIKey is TYVJSAXUBHZRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c1-12-6-8-13(9-7-12)22-17-15(21-2)11-19-16(20-17)14-5-3-4-10-18-14/h3-11H,1-2H3.
What are the key properties of 5-methoxy-4-(4-methylphenyl)sulfanyl-2-pyridin-2-ylpyrimidine?
5-methoxy-4-(4-methylphenyl)sulfanyl-2-pyridin-2-ylpyrimidine has a molecular weight of 309.39 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(4-methylphenyl)sulfanyl-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 1470825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).