4-(methoxymethyl)-6-(4-methoxyphenyl)sulfanyl-2-phenylpyrimidine

C19H18N2O2S — CID 1476709

IUPAC4-(methoxymethyl)-6-(4-methoxyphenyl)sulfanyl-2-phenylpyrimidine
SMILESCOCc1cc(Sc2ccc(OC)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C19H18N2O2S/c1-22-13-15-12-18(24-17-10-8-16(23-2)9-11-17)21-19(20-15)14-6-4-3-5-7-14/h3-12H,13H2,1-2H3
InChIKeyFKDKSIYTKAROHG-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.45
Rot. Bonds6

About 4-(methoxymethyl)-6-(4-methoxyphenyl)sulfanyl-2-phenylpyrimidine

4-(methoxymethyl)-6-(4-methoxyphenyl)sulfanyl-2-phenylpyrimidine (PubChem CID 1476709) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is 4-(methoxymethyl)-6-(4-methoxyphenyl)sulfanyl-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(methoxymethyl)-6-(4-methoxyphenyl)sulfanyl-2-phenylpyrimidine
PubChem CID1476709
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name4-(methoxymethyl)-6-(4-methoxyphenyl)sulfanyl-2-phenylpyrimidine
SMILESCOCc1cc(Sc2ccc(OC)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C19H18N2O2S/c1-22-13-15-12-18(24-17-10-8-16(23-2)9-11-17)21-19(20-15)14-6-4-3-5-7-14/h3-12H,13H2,1-2H3
InChIKeyFKDKSIYTKAROHG-UHFFFAOYSA-N
XLogP4.45
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-6-(4-methoxyphenyl)sulfanyl-2-phenylpyrimidine?
The IUPAC name of 4-(methoxymethyl)-6-(4-methoxyphenyl)sulfanyl-2-phenylpyrimidine (CID 1476709) is 4-(methoxymethyl)-6-(4-methoxyphenyl)sulfanyl-2-phenylpyrimidine.
What is the SMILES notation for 4-(methoxymethyl)-6-(4-methoxyphenyl)sulfanyl-2-phenylpyrimidine?
The canonical SMILES for 4-(methoxymethyl)-6-(4-methoxyphenyl)sulfanyl-2-phenylpyrimidine is COCc1cc(Sc2ccc(OC)cc2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-(methoxymethyl)-6-(4-methoxyphenyl)sulfanyl-2-phenylpyrimidine?
The InChIKey is FKDKSIYTKAROHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-22-13-15-12-18(24-17-10-8-16(23-2)9-11-17)21-19(20-15)14-6-4-3-5-7-14/h3-12H,13H2,1-2H3.
What are the key properties of 4-(methoxymethyl)-6-(4-methoxyphenyl)sulfanyl-2-phenylpyrimidine?
4-(methoxymethyl)-6-(4-methoxyphenyl)sulfanyl-2-phenylpyrimidine has a molecular weight of 338.43 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-6-(4-methoxyphenyl)sulfanyl-2-phenylpyrimidine is sourced from PubChem (CID 1476709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).