[4-chloro-6-[(2-chlorophenyl)methylsulfanyl]pyrimidin-5-yl]methanol

C12H10Cl2N2OS — CID 103290812

IUPAC[4-chloro-6-[(2-chlorophenyl)methylsulfanyl]pyrimidin-5-yl]methanol
SMILESOCc1c(Cl)ncnc1SCc1ccccc1Cl
InChIInChI=1S/C12H10Cl2N2OS/c13-10-4-2-1-3-8(10)6-18-12-9(5-17)11(14)15-7-16-12/h1-4,7,17H,5-6H2
InChIKeyXDFSSCGFWWRRCS-UHFFFAOYSA-N
MW301.20 g/mol
LogP3.57
Rot. Bonds4

About [4-chloro-6-[(2-chlorophenyl)methylsulfanyl]pyrimidin-5-yl]methanol

[4-chloro-6-[(2-chlorophenyl)methylsulfanyl]pyrimidin-5-yl]methanol (PubChem CID 103290812) has the molecular formula C12H10Cl2N2OS and a molecular weight of 301.20 g/mol. Its IUPAC name is [4-chloro-6-[(2-chlorophenyl)methylsulfanyl]pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-chloro-6-[(2-chlorophenyl)methylsulfanyl]pyrimidin-5-yl]methanol
PubChem CID103290812
Molecular FormulaC12H10Cl2N2OS
Molecular Weight301.20 g/mol
Exact Mass299.99
IUPAC Name[4-chloro-6-[(2-chlorophenyl)methylsulfanyl]pyrimidin-5-yl]methanol
SMILESOCc1c(Cl)ncnc1SCc1ccccc1Cl
InChIInChI=1S/C12H10Cl2N2OS/c13-10-4-2-1-3-8(10)6-18-12-9(5-17)11(14)15-7-16-12/h1-4,7,17H,5-6H2
InChIKeyXDFSSCGFWWRRCS-UHFFFAOYSA-N
XLogP3.57
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-chlorophenyl)methylsulfanyl]-5-ethyl-N-methylpyrimidin-4-amine
CID 103291539
3-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyridine
CID 47152859
3-[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]sulfanylbutan-2-ol
CID 107772308
4-benzylsulfanyl-6-[(2-chlorophenyl)methylsulfanyl]pyrimidine
CID 95918204
[5-chloro-2-[(2-chlorophenyl)methylsulfanyl]phenyl]methanol
CID 103290841
[5-[(2-chlorophenyl)methylsulfanyl]thiophen-2-yl]methanol
CID 107365409
2-[(2-chlorophenyl)methylsulfanyl]-5-methylpyridin-3-amine
CID 103288225
3-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyridine-4-carbonitrile
CID 107060790
1,2-bis[5-[(2-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]ethane-1,2-diol
CID 2974870
2-[(2-chlorophenyl)methylsulfanyl]-3-nitropyridine
CID 133273785
4-[(2-chlorophenyl)methylsulfanyl]-7-(3-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidine
CID 5144138
3-chloro-2-[(2-methylphenyl)methylsulfanyl]pyridine
CID 47129961

Frequently Asked Questions

What is the IUPAC name of [4-chloro-6-[(2-chlorophenyl)methylsulfanyl]pyrimidin-5-yl]methanol?
The IUPAC name of [4-chloro-6-[(2-chlorophenyl)methylsulfanyl]pyrimidin-5-yl]methanol (CID 103290812) is [4-chloro-6-[(2-chlorophenyl)methylsulfanyl]pyrimidin-5-yl]methanol.
What is the SMILES notation for [4-chloro-6-[(2-chlorophenyl)methylsulfanyl]pyrimidin-5-yl]methanol?
The canonical SMILES for [4-chloro-6-[(2-chlorophenyl)methylsulfanyl]pyrimidin-5-yl]methanol is OCc1c(Cl)ncnc1SCc1ccccc1Cl.
What is the InChIKey of [4-chloro-6-[(2-chlorophenyl)methylsulfanyl]pyrimidin-5-yl]methanol?
The InChIKey is XDFSSCGFWWRRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2OS/c13-10-4-2-1-3-8(10)6-18-12-9(5-17)11(14)15-7-16-12/h1-4,7,17H,5-6H2.
What are the key properties of [4-chloro-6-[(2-chlorophenyl)methylsulfanyl]pyrimidin-5-yl]methanol?
[4-chloro-6-[(2-chlorophenyl)methylsulfanyl]pyrimidin-5-yl]methanol has a molecular weight of 301.20 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-6-[(2-chlorophenyl)methylsulfanyl]pyrimidin-5-yl]methanol is sourced from PubChem (CID 103290812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).