2-chloro-4-(3-methoxyphenyl)sulfanyl-5-methylpyrimidine

C12H11ClN2OS — CID 79073515

IUPAC2-chloro-4-(3-methoxyphenyl)sulfanyl-5-methylpyrimidine
SMILESCOc1cccc(Sc2nc(Cl)ncc2C)c1
InChIInChI=1S/C12H11ClN2OS/c1-8-7-14-12(13)15-11(8)17-10-5-3-4-9(6-10)16-2/h3-7H,1-2H3
InChIKeyDRNGBYZTWHQDNZ-UHFFFAOYSA-N
MW266.75 g/mol
LogP3.60
Rot. Bonds3

About 2-chloro-4-(3-methoxyphenyl)sulfanyl-5-methylpyrimidine

2-chloro-4-(3-methoxyphenyl)sulfanyl-5-methylpyrimidine (PubChem CID 79073515) has the molecular formula C12H11ClN2OS and a molecular weight of 266.75 g/mol. Its IUPAC name is 2-chloro-4-(3-methoxyphenyl)sulfanyl-5-methylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-(3-methoxyphenyl)sulfanyl-5-methylpyrimidine
PubChem CID79073515
Molecular FormulaC12H11ClN2OS
Molecular Weight266.75 g/mol
Exact Mass266.03
IUPAC Name2-chloro-4-(3-methoxyphenyl)sulfanyl-5-methylpyrimidine
SMILESCOc1cccc(Sc2nc(Cl)ncc2C)c1
InChIInChI=1S/C12H11ClN2OS/c1-8-7-14-12(13)15-11(8)17-10-5-3-4-9(6-10)16-2/h3-7H,1-2H3
InChIKeyDRNGBYZTWHQDNZ-UHFFFAOYSA-N
XLogP3.60
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-methoxyphenyl)sulfanyl-5-methylpyrimidine?
The IUPAC name of 2-chloro-4-(3-methoxyphenyl)sulfanyl-5-methylpyrimidine (CID 79073515) is 2-chloro-4-(3-methoxyphenyl)sulfanyl-5-methylpyrimidine.
What is the SMILES notation for 2-chloro-4-(3-methoxyphenyl)sulfanyl-5-methylpyrimidine?
The canonical SMILES for 2-chloro-4-(3-methoxyphenyl)sulfanyl-5-methylpyrimidine is COc1cccc(Sc2nc(Cl)ncc2C)c1.
What is the InChIKey of 2-chloro-4-(3-methoxyphenyl)sulfanyl-5-methylpyrimidine?
The InChIKey is DRNGBYZTWHQDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS/c1-8-7-14-12(13)15-11(8)17-10-5-3-4-9(6-10)16-2/h3-7H,1-2H3.
What are the key properties of 2-chloro-4-(3-methoxyphenyl)sulfanyl-5-methylpyrimidine?
2-chloro-4-(3-methoxyphenyl)sulfanyl-5-methylpyrimidine has a molecular weight of 266.75 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-methoxyphenyl)sulfanyl-5-methylpyrimidine is sourced from PubChem (CID 79073515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).