5-methoxy-2-phenyl-4-phenylsulfanylpyrimidine

C17H14N2OS — CID 1491526

IUPAC5-methoxy-2-phenyl-4-phenylsulfanylpyrimidine
SMILESCOc1cnc(-c2ccccc2)nc1Sc1ccccc1
InChIInChI=1S/C17H14N2OS/c1-20-15-12-18-16(13-8-4-2-5-9-13)19-17(15)21-14-10-6-3-7-11-14/h2-12H,1H3
InChIKeyRSHKKMWFAQVJQG-UHFFFAOYSA-N
MW294.38 g/mol
LogP4.30
Rot. Bonds4

About 5-methoxy-2-phenyl-4-phenylsulfanylpyrimidine

5-methoxy-2-phenyl-4-phenylsulfanylpyrimidine (PubChem CID 1491526) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 5-methoxy-2-phenyl-4-phenylsulfanylpyrimidine.

Molecular Properties

Compound Name5-methoxy-2-phenyl-4-phenylsulfanylpyrimidine
PubChem CID1491526
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC Name5-methoxy-2-phenyl-4-phenylsulfanylpyrimidine
SMILESCOc1cnc(-c2ccccc2)nc1Sc1ccccc1
InChIInChI=1S/C17H14N2OS/c1-20-15-12-18-16(13-8-4-2-5-9-13)19-17(15)21-14-10-6-3-7-11-14/h2-12H,1H3
InChIKeyRSHKKMWFAQVJQG-UHFFFAOYSA-N
XLogP4.30
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-phenyl-4-phenylsulfanylpyrimidine?
The IUPAC name of 5-methoxy-2-phenyl-4-phenylsulfanylpyrimidine (CID 1491526) is 5-methoxy-2-phenyl-4-phenylsulfanylpyrimidine.
What is the SMILES notation for 5-methoxy-2-phenyl-4-phenylsulfanylpyrimidine?
The canonical SMILES for 5-methoxy-2-phenyl-4-phenylsulfanylpyrimidine is COc1cnc(-c2ccccc2)nc1Sc1ccccc1.
What is the InChIKey of 5-methoxy-2-phenyl-4-phenylsulfanylpyrimidine?
The InChIKey is RSHKKMWFAQVJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS/c1-20-15-12-18-16(13-8-4-2-5-9-13)19-17(15)21-14-10-6-3-7-11-14/h2-12H,1H3.
What are the key properties of 5-methoxy-2-phenyl-4-phenylsulfanylpyrimidine?
5-methoxy-2-phenyl-4-phenylsulfanylpyrimidine has a molecular weight of 294.38 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-phenyl-4-phenylsulfanylpyrimidine is sourced from PubChem (CID 1491526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).