4-(methylsulfinylmethyl)-6-phenylsulfanyl-2-pyridin-3-ylpyrimidine

C17H15N3OS2 — CID 3806886

IUPAC4-(methylsulfinylmethyl)-6-phenylsulfanyl-2-pyridin-3-ylpyrimidine
SMILESCS(=O)Cc1cc(Sc2ccccc2)nc(-c2cccnc2)n1
InChIInChI=1S/C17H15N3OS2/c1-23(21)12-14-10-16(22-15-7-3-2-4-8-15)20-17(19-14)13-6-5-9-18-11-13/h2-11H,12H2,1H3
InChIKeyOQWKNXGOCLULTN-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.57
Rot. Bonds5

About 4-(methylsulfinylmethyl)-6-phenylsulfanyl-2-pyridin-3-ylpyrimidine

4-(methylsulfinylmethyl)-6-phenylsulfanyl-2-pyridin-3-ylpyrimidine (PubChem CID 3806886) has the molecular formula C17H15N3OS2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 4-(methylsulfinylmethyl)-6-phenylsulfanyl-2-pyridin-3-ylpyrimidine.

Molecular Properties

Compound Name4-(methylsulfinylmethyl)-6-phenylsulfanyl-2-pyridin-3-ylpyrimidine
PubChem CID3806886
Molecular FormulaC17H15N3OS2
Molecular Weight341.46 g/mol
Exact Mass341.07
IUPAC Name4-(methylsulfinylmethyl)-6-phenylsulfanyl-2-pyridin-3-ylpyrimidine
SMILESCS(=O)Cc1cc(Sc2ccccc2)nc(-c2cccnc2)n1
InChIInChI=1S/C17H15N3OS2/c1-23(21)12-14-10-16(22-15-7-3-2-4-8-15)20-17(19-14)13-6-5-9-18-11-13/h2-11H,12H2,1H3
InChIKeyOQWKNXGOCLULTN-UHFFFAOYSA-N
XLogP3.57
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(methylsulfinylmethyl)-6-phenylsulfanyl-2-pyridin-3-ylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tasuldine
CID 65666
4-Methyl-6-[(4-methylphenyl)thio]-2-(2-pyridyl)pyrimidine
CID 2725934
2-(Pyridin-2-yl)-4-(m-tolylthio)pyrimidine
CID 11460152
4-Chloro-6-[(phenylsulfonyl)methyl]-2-(3-pyridinyl)pyrimidine
CID 1471755
4-(Phenylsulfanyl)-2-(2-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 1473292
4-(Benzenesulfinylmethyl)-2-phenyl-6-phenylsulfanylpyrimidine
CID 2769224
2-(Pyridin-2-yl)-4-(4-(trifluoromethyl)phenylthio)pyrimidine
CID 11256060
2-(Pyridin-2-yl)-4-(3-(trifluoromethyl)phenylthio)pyrimidine
CID 11450419
5-(Isopropylsulfonyl)-2-(3-pyridyl)pyrimidin-4-amine
CID 2778658
2-Phenyl-4-(2-propen-1-ylthio)-pyrimidine
CID 96753
N-phenyl-6-[(2-pyridinylthio)methyl]-1,3,5-triazine-2,4-diamine
CID 668614
6-(4-Methyl-pyrimidin-2-ylsulfanylmethyl)-N-m-tolyl-[1,3,5]triazine-2,4-diamine
CID 899174

Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfinylmethyl)-6-phenylsulfanyl-2-pyridin-3-ylpyrimidine?
The IUPAC name of 4-(methylsulfinylmethyl)-6-phenylsulfanyl-2-pyridin-3-ylpyrimidine (CID 3806886) is 4-(methylsulfinylmethyl)-6-phenylsulfanyl-2-pyridin-3-ylpyrimidine.
What is the SMILES notation for 4-(methylsulfinylmethyl)-6-phenylsulfanyl-2-pyridin-3-ylpyrimidine?
The canonical SMILES for 4-(methylsulfinylmethyl)-6-phenylsulfanyl-2-pyridin-3-ylpyrimidine is CS(=O)Cc1cc(Sc2ccccc2)nc(-c2cccnc2)n1.
What is the InChIKey of 4-(methylsulfinylmethyl)-6-phenylsulfanyl-2-pyridin-3-ylpyrimidine?
The InChIKey is OQWKNXGOCLULTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS2/c1-23(21)12-14-10-16(22-15-7-3-2-4-8-15)20-17(19-14)13-6-5-9-18-11-13/h2-11H,12H2,1H3.
What are the key properties of 4-(methylsulfinylmethyl)-6-phenylsulfanyl-2-pyridin-3-ylpyrimidine?
4-(methylsulfinylmethyl)-6-phenylsulfanyl-2-pyridin-3-ylpyrimidine has a molecular weight of 341.46 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfinylmethyl)-6-phenylsulfanyl-2-pyridin-3-ylpyrimidine is sourced from PubChem (CID 3806886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).