4-Chloro-6-(4-fluoro-3-methylphenoxy)-2-methylsulfanylpyrimidine

C12H10ClFN2OS — CID 81736725

IUPAC4-chloro-6-(4-fluoro-3-methylphenoxy)-2-methylsulfanylpyrimidine
SMILESCC1=C(C=CC(=C1)OC2=CC(=NC(=N2)SC)Cl)F
InChIInChI=1S/C12H10ClFN2OS/c1-7-5-8(3-4-9(7)14)17-11-6-10(13)15-12(16-11)18-2/h3-6H,1-2H3
InChIKeyZHSXHDXNLSMQFP-UHFFFAOYSA-N
MW284.74 g/mol
LogP4.30
Rot. Bonds3

About 4-Chloro-6-(4-fluoro-3-methylphenoxy)-2-methylsulfanylpyrimidine

4-Chloro-6-(4-fluoro-3-methylphenoxy)-2-methylsulfanylpyrimidine (PubChem CID 81736725) has the molecular formula C12H10ClFN2OS and a molecular weight of 284.74 g/mol. Its IUPAC name is 4-chloro-6-(4-fluoro-3-methylphenoxy)-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-Chloro-6-(4-fluoro-3-methylphenoxy)-2-methylsulfanylpyrimidine
PubChem CID81736725
Molecular FormulaC12H10ClFN2OS
Molecular Weight284.74 g/mol
Exact Mass284.02
IUPAC Name4-chloro-6-(4-fluoro-3-methylphenoxy)-2-methylsulfanylpyrimidine
SMILESCC1=C(C=CC(=C1)OC2=CC(=NC(=N2)SC)Cl)F
InChIInChI=1S/C12H10ClFN2OS/c1-7-5-8(3-4-9(7)14)17-11-6-10(13)15-12(16-11)18-2/h3-6H,1-2H3
InChIKeyZHSXHDXNLSMQFP-UHFFFAOYSA-N
XLogP4.30
TPSA60.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity274

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,5-Dimethylphenoxy)-6-fluoropyrimidin-2-amine
CID 695400
4-Chloro-6-(2-fluorophenoxy)pyrimidin-2-amine
CID 683987
6-Chloro-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-amine
CID 470528
2-(Methylsulfanyl)-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenoxy]pyrimidine
CID 1475000
4,6-Bis(3-(trifluoromethyl)phenoxy)-2-pyrimidinyl methyl sulfone
CID 3773302
2-Amino-4-(p-ethylphenoxy)-6-chloropyrimidine
CID 815741
4-Chloro-5-(4-ethoxy-benzyl)-6-methoxy-2-methylsulfanyl-pyrimidine
CID 838951
4-(4-Methylphenoxy)-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine
CID 1475001
4-(2-Allylphenoxy)-6-fluoro-2-pyrimidinamine
CID 741056
2-[2-(3-Methylphenoxy)ethylsulfanyl]pyrimidine-4,6-diamine
CID 2475821
4,6-Dimethoxy-2-[3-(trifluoromethyl)phenoxy]pyrimidine
CID 4564336
4-Chloro-6-(4-propylphenoxy)pyrimidin-2-amine
CID 702419

Frequently Asked Questions

What is the IUPAC name of 4-Chloro-6-(4-fluoro-3-methylphenoxy)-2-methylsulfanylpyrimidine?
The IUPAC name of 4-Chloro-6-(4-fluoro-3-methylphenoxy)-2-methylsulfanylpyrimidine (CID 81736725) is 4-chloro-6-(4-fluoro-3-methylphenoxy)-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-Chloro-6-(4-fluoro-3-methylphenoxy)-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-Chloro-6-(4-fluoro-3-methylphenoxy)-2-methylsulfanylpyrimidine is CC1=C(C=CC(=C1)OC2=CC(=NC(=N2)SC)Cl)F.
What is the InChIKey of 4-Chloro-6-(4-fluoro-3-methylphenoxy)-2-methylsulfanylpyrimidine?
The InChIKey is ZHSXHDXNLSMQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2OS/c1-7-5-8(3-4-9(7)14)17-11-6-10(13)15-12(16-11)18-2/h3-6H,1-2H3.
What are the key properties of 4-Chloro-6-(4-fluoro-3-methylphenoxy)-2-methylsulfanylpyrimidine?
4-Chloro-6-(4-fluoro-3-methylphenoxy)-2-methylsulfanylpyrimidine has a molecular weight of 284.74 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Chloro-6-(4-fluoro-3-methylphenoxy)-2-methylsulfanylpyrimidine is sourced from PubChem (CID 81736725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).