4-chloro-6-(3,5-dichlorophenyl)sulfanyl-2-(methoxymethyl)pyrimidine

C12H9Cl3N2OS — CID 112736303

IUPAC4-chloro-6-(3,5-dichlorophenyl)sulfanyl-2-(methoxymethyl)pyrimidine
SMILESCOCc1nc(Cl)cc(Sc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C12H9Cl3N2OS/c1-18-6-11-16-10(15)5-12(17-11)19-9-3-7(13)2-8(14)4-9/h2-5H,6H2,1H3
InChIKeyPZZUBMRDNKADNY-UHFFFAOYSA-N
MW335.64 g/mol
LogP4.73
Rot. Bonds4

About 4-chloro-6-(3,5-dichlorophenyl)sulfanyl-2-(methoxymethyl)pyrimidine

4-chloro-6-(3,5-dichlorophenyl)sulfanyl-2-(methoxymethyl)pyrimidine (PubChem CID 112736303) has the molecular formula C12H9Cl3N2OS and a molecular weight of 335.64 g/mol. Its IUPAC name is 4-chloro-6-(3,5-dichlorophenyl)sulfanyl-2-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3,5-dichlorophenyl)sulfanyl-2-(methoxymethyl)pyrimidine
PubChem CID112736303
Molecular FormulaC12H9Cl3N2OS
Molecular Weight335.64 g/mol
Exact Mass333.95
IUPAC Name4-chloro-6-(3,5-dichlorophenyl)sulfanyl-2-(methoxymethyl)pyrimidine
SMILESCOCc1nc(Cl)cc(Sc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C12H9Cl3N2OS/c1-18-6-11-16-10(15)5-12(17-11)19-9-3-7(13)2-8(14)4-9/h2-5H,6H2,1H3
InChIKeyPZZUBMRDNKADNY-UHFFFAOYSA-N
XLogP4.73
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.64
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3,5-dichlorophenyl)sulfanyl-2-(methoxymethyl)pyrimidine?
The IUPAC name of 4-chloro-6-(3,5-dichlorophenyl)sulfanyl-2-(methoxymethyl)pyrimidine (CID 112736303) is 4-chloro-6-(3,5-dichlorophenyl)sulfanyl-2-(methoxymethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(3,5-dichlorophenyl)sulfanyl-2-(methoxymethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(3,5-dichlorophenyl)sulfanyl-2-(methoxymethyl)pyrimidine is COCc1nc(Cl)cc(Sc2cc(Cl)cc(Cl)c2)n1.
What is the InChIKey of 4-chloro-6-(3,5-dichlorophenyl)sulfanyl-2-(methoxymethyl)pyrimidine?
The InChIKey is PZZUBMRDNKADNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl3N2OS/c1-18-6-11-16-10(15)5-12(17-11)19-9-3-7(13)2-8(14)4-9/h2-5H,6H2,1H3.
What are the key properties of 4-chloro-6-(3,5-dichlorophenyl)sulfanyl-2-(methoxymethyl)pyrimidine?
4-chloro-6-(3,5-dichlorophenyl)sulfanyl-2-(methoxymethyl)pyrimidine has a molecular weight of 335.64 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3,5-dichlorophenyl)sulfanyl-2-(methoxymethyl)pyrimidine is sourced from PubChem (CID 112736303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).