2,4-dichloro-6-[(4-fluorophenyl)sulfanylmethyl]pyrimidine

C11H7Cl2FN2S — CID 57427822

IUPAC2,4-dichloro-6-[(4-fluorophenyl)sulfanylmethyl]pyrimidine
SMILESFc1ccc(SCc2cc(Cl)nc(Cl)n2)cc1
InChIInChI=1S/C11H7Cl2FN2S/c12-10-5-8(15-11(13)16-10)6-17-9-3-1-7(14)2-4-9/h1-5H,6H2
InChIKeyUHEXBGUZZFSXPV-UHFFFAOYSA-N
MW289.16 g/mol
LogP4.21
Rot. Bonds3

About 2,4-dichloro-6-[(4-fluorophenyl)sulfanylmethyl]pyrimidine

2,4-dichloro-6-[(4-fluorophenyl)sulfanylmethyl]pyrimidine (PubChem CID 57427822) has the molecular formula C11H7Cl2FN2S and a molecular weight of 289.16 g/mol. Its IUPAC name is 2,4-dichloro-6-[(4-fluorophenyl)sulfanylmethyl]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-6-[(4-fluorophenyl)sulfanylmethyl]pyrimidine
PubChem CID57427822
Molecular FormulaC11H7Cl2FN2S
Molecular Weight289.16 g/mol
Exact Mass287.97
IUPAC Name2,4-dichloro-6-[(4-fluorophenyl)sulfanylmethyl]pyrimidine
SMILESFc1ccc(SCc2cc(Cl)nc(Cl)n2)cc1
InChIInChI=1S/C11H7Cl2FN2S/c12-10-5-8(15-11(13)16-10)6-17-9-3-1-7(14)2-4-9/h1-5H,6H2
InChIKeyUHEXBGUZZFSXPV-UHFFFAOYSA-N
XLogP4.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

acs.jmedchem.1c00409_ST.259
CID 145961183
(6-Chloro-2-methyl-4-pyrimidinyl)methyl 4-chlorophenyl sulfone
CID 1476657
4-Chloro-2-phenyl-6-[(phenylsulfanyl)methyl]pyrimidine
CID 1486730
2-(2-Chloro-6-fluoro-benzylsulfanyl)-4,6-dimethyl-pyrimidine
CID 798404
N-(4-chloro-6-methyl-2-pyrimidinyl)-2-((4-chlorophenyl)thio)acetamide
CID 224680
N-(6-{[(4-chlorophenyl)sulfanyl]methyl}-2-methyl-4-pyrimidinyl)-N-methylamine
CID 1476642
4-Chloro-6-[(4-fluorophenyl)sulfanyl]-2-pyrimidinamine
CID 1484267
N-[4-[(4-chlorophenyl)sulfanyl]-6-(trifluoromethyl)-2-pyrimidinyl]-N-ethylamine
CID 1483194
4-[(4-Chlorophenyl)sulfanyl]-6-{[(4-chlorophenyl)sulfanyl]methyl}-2-{[(4-fluorophenyl)methyl]sulfanyl}pyrimidine
CID 2765601
4-(3,5-Dichlorophenyl)sulfanyl-6-methylpyrimidin-2-amine
CID 137647022
2-Methylsulfanyl-4-phenylsulfanyl-6-(trifluoromethyl)pyrimidine
CID 10494574
Pyrimidine, 2,4-diamino-5-(p-chlorophenylthio)-6-ethyl-
CID 23423605

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(4-fluorophenyl)sulfanylmethyl]pyrimidine?
The IUPAC name of 2,4-dichloro-6-[(4-fluorophenyl)sulfanylmethyl]pyrimidine (CID 57427822) is 2,4-dichloro-6-[(4-fluorophenyl)sulfanylmethyl]pyrimidine.
What is the SMILES notation for 2,4-dichloro-6-[(4-fluorophenyl)sulfanylmethyl]pyrimidine?
The canonical SMILES for 2,4-dichloro-6-[(4-fluorophenyl)sulfanylmethyl]pyrimidine is Fc1ccc(SCc2cc(Cl)nc(Cl)n2)cc1.
What is the InChIKey of 2,4-dichloro-6-[(4-fluorophenyl)sulfanylmethyl]pyrimidine?
The InChIKey is UHEXBGUZZFSXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2FN2S/c12-10-5-8(15-11(13)16-10)6-17-9-3-1-7(14)2-4-9/h1-5H,6H2.
What are the key properties of 2,4-dichloro-6-[(4-fluorophenyl)sulfanylmethyl]pyrimidine?
2,4-dichloro-6-[(4-fluorophenyl)sulfanylmethyl]pyrimidine has a molecular weight of 289.16 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(4-fluorophenyl)sulfanylmethyl]pyrimidine is sourced from PubChem (CID 57427822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).