2-benzylsulfanyl-4-(2-fluorophenoxy)-6-propan-2-ylpyrimidine

C20H19FN2OS — CID 46033216

IUPAC2-benzylsulfanyl-4-(2-fluorophenoxy)-6-propan-2-ylpyrimidine
SMILESCC(C)c1cc(Oc2ccccc2F)nc(SCc2ccccc2)n1
InChIInChI=1S/C20H19FN2OS/c1-14(2)17-12-19(24-18-11-7-6-10-16(18)21)23-20(22-17)25-13-15-8-4-3-5-9-15/h3-12,14H,13H2,1-2H3
InChIKeyGOEZEJUQKZWHFR-UHFFFAOYSA-N
MW354.45 g/mol
LogP5.82
Rot. Bonds6

About 2-benzylsulfanyl-4-(2-fluorophenoxy)-6-propan-2-ylpyrimidine

2-benzylsulfanyl-4-(2-fluorophenoxy)-6-propan-2-ylpyrimidine (PubChem CID 46033216) has the molecular formula C20H19FN2OS and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-benzylsulfanyl-4-(2-fluorophenoxy)-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name2-benzylsulfanyl-4-(2-fluorophenoxy)-6-propan-2-ylpyrimidine
PubChem CID46033216
Molecular FormulaC20H19FN2OS
Molecular Weight354.45 g/mol
Exact Mass354.12
IUPAC Name2-benzylsulfanyl-4-(2-fluorophenoxy)-6-propan-2-ylpyrimidine
SMILESCC(C)c1cc(Oc2ccccc2F)nc(SCc2ccccc2)n1
InChIInChI=1S/C20H19FN2OS/c1-14(2)17-12-19(24-18-11-7-6-10-16(18)21)23-20(22-17)25-13-15-8-4-3-5-9-15/h3-12,14H,13H2,1-2H3
InChIKeyGOEZEJUQKZWHFR-UHFFFAOYSA-N
XLogP5.82
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-(Benzyloxy)phenyl)-2-(ethylsulfinyl)-6-(trifluoromethyl)pyrimidine
CID 49868481
6-Benzyl-2-[(3-methoxybenzyl)sulfanyl]pyrimidin-4-amine
CID 44816908
4-Phenoxy-2-phenyl-6-[(phenylsulfonyl)methyl]pyrimidine
CID 1471763
2-(Methylsulfanyl)-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenoxy]pyrimidine
CID 1475000
4-(Benzenesulfinylmethyl)-6-phenoxy-2-phenylpyrimidine
CID 1489491
6-(Benzyloxy)-2-(benzylthio)-4-pyrimidinamine
CID 90681267
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(phenoxymethyl)phenyl]ethanamide
CID 134433608
N-benzyl-4-methyl-6-phenoxypyrimidin-2-amine
CID 697240
N-benzyl-4-(2-fluorophenoxy)-6-methylpyrimidin-2-amine
CID 697244
4-Methyl-6-phenoxy-2-phenylpyrimidine
CID 796212
4-(4-Ethylphenoxy)-6-methylpyrimidin-2-amine
CID 830665
4-(4-Methylphenoxy)-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine
CID 1475001

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-4-(2-fluorophenoxy)-6-propan-2-ylpyrimidine?
The IUPAC name of 2-benzylsulfanyl-4-(2-fluorophenoxy)-6-propan-2-ylpyrimidine (CID 46033216) is 2-benzylsulfanyl-4-(2-fluorophenoxy)-6-propan-2-ylpyrimidine.
What is the SMILES notation for 2-benzylsulfanyl-4-(2-fluorophenoxy)-6-propan-2-ylpyrimidine?
The canonical SMILES for 2-benzylsulfanyl-4-(2-fluorophenoxy)-6-propan-2-ylpyrimidine is CC(C)c1cc(Oc2ccccc2F)nc(SCc2ccccc2)n1.
What is the InChIKey of 2-benzylsulfanyl-4-(2-fluorophenoxy)-6-propan-2-ylpyrimidine?
The InChIKey is GOEZEJUQKZWHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2OS/c1-14(2)17-12-19(24-18-11-7-6-10-16(18)21)23-20(22-17)25-13-15-8-4-3-5-9-15/h3-12,14H,13H2,1-2H3.
What are the key properties of 2-benzylsulfanyl-4-(2-fluorophenoxy)-6-propan-2-ylpyrimidine?
2-benzylsulfanyl-4-(2-fluorophenoxy)-6-propan-2-ylpyrimidine has a molecular weight of 354.45 g/mol, XLogP of 5.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-4-(2-fluorophenoxy)-6-propan-2-ylpyrimidine is sourced from PubChem (CID 46033216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).