2-benzylsulfanyl-4-phenylpyrimidine

C17H14N2S — CID 13116377

IUPAC2-benzylsulfanyl-4-phenylpyrimidine
SMILESc1ccc(CSc2nccc(-c3ccccc3)n2)cc1
InChIInChI=1S/C17H14N2S/c1-3-7-14(8-4-1)13-20-17-18-12-11-16(19-17)15-9-5-2-6-10-15/h1-12H,13H2
InChIKeyPUYMENMUKNCTHP-UHFFFAOYSA-N
MW278.38 g/mol
LogP4.44
Rot. Bonds4

About 2-benzylsulfanyl-4-phenylpyrimidine

2-benzylsulfanyl-4-phenylpyrimidine (PubChem CID 13116377) has the molecular formula C17H14N2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-benzylsulfanyl-4-phenylpyrimidine.

Molecular Properties

Compound Name2-benzylsulfanyl-4-phenylpyrimidine
PubChem CID13116377
Molecular FormulaC17H14N2S
Molecular Weight278.38 g/mol
Exact Mass278.09
IUPAC Name2-benzylsulfanyl-4-phenylpyrimidine
SMILESc1ccc(CSc2nccc(-c3ccccc3)n2)cc1
InChIInChI=1S/C17H14N2S/c1-3-7-14(8-4-1)13-20-17-18-12-11-16(19-17)15-9-5-2-6-10-15/h1-12H,13H2
InChIKeyPUYMENMUKNCTHP-UHFFFAOYSA-N
XLogP4.44
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzylsulfanyl-4-(2,5-dichlorothiophen-3-yl)pyrimidine
CID 3696050
2-benzylsulfanylpyrimidine-4-carbonitrile
CID 107551302
2-benzylsulfanyl-4-chloro-6-phenylpyrimidine
CID 16642955
N-(2-phenylethyl)-2-(4-phenylpyrimidin-2-yl)sulfanylacetamide
CID 6487647
3-benzylsulfanyl-1-ethyl-5-phenyl-1,2,4-triazin-1-ium
CID 10992906
(NZ)-N-[(2-benzylsulfanylpyrimidin-4-yl)methylidene]hydroxylamine
CID 135910618
4-benzylsulfanyl-6-phenylpyrimidine
CID 16876404
2-benzylsulfanyl-4-phenoxy-6-phenylpyrimidine
CID 42845948
4-phenyl-2-(2-phenylethyl)pyrimidine
CID 150687160
2-benzylsulfanyl-4-chloro-5-iodopyrimidine
CID 91469234
2,4-diphenylpyrimidine;yttrium
CID 59738567
2-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-6-phenylpyrimidine
CID 162640165

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-4-phenylpyrimidine?
The IUPAC name of 2-benzylsulfanyl-4-phenylpyrimidine (CID 13116377) is 2-benzylsulfanyl-4-phenylpyrimidine.
What is the SMILES notation for 2-benzylsulfanyl-4-phenylpyrimidine?
The canonical SMILES for 2-benzylsulfanyl-4-phenylpyrimidine is c1ccc(CSc2nccc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-benzylsulfanyl-4-phenylpyrimidine?
The InChIKey is PUYMENMUKNCTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2S/c1-3-7-14(8-4-1)13-20-17-18-12-11-16(19-17)15-9-5-2-6-10-15/h1-12H,13H2.
What are the key properties of 2-benzylsulfanyl-4-phenylpyrimidine?
2-benzylsulfanyl-4-phenylpyrimidine has a molecular weight of 278.38 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-4-phenylpyrimidine is sourced from PubChem (CID 13116377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).