4-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)-2-methylpyrimidine

C14H15ClN2OS — CID 1476797

IUPAC4-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)-2-methylpyrimidine
SMILESCOCc1cc(SCc2ccc(Cl)cc2)nc(C)n1
InChIInChI=1S/C14H15ClN2OS/c1-10-16-13(8-18-2)7-14(17-10)19-9-11-3-5-12(15)6-4-11/h3-7H,8-9H2,1-2H3
InChIKeyAWITWNZEMGCJNE-UHFFFAOYSA-N
MW294.81 g/mol
LogP3.88
Rot. Bonds5

About 4-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)-2-methylpyrimidine

4-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)-2-methylpyrimidine (PubChem CID 1476797) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)-2-methylpyrimidine.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)-2-methylpyrimidine
PubChem CID1476797
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC Name4-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)-2-methylpyrimidine
SMILESCOCc1cc(SCc2ccc(Cl)cc2)nc(C)n1
InChIInChI=1S/C14H15ClN2OS/c1-10-16-13(8-18-2)7-14(17-10)19-9-11-3-5-12(15)6-4-11/h3-7H,8-9H2,1-2H3
InChIKeyAWITWNZEMGCJNE-UHFFFAOYSA-N
XLogP3.88
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)-2-methylpyrimidine?
The IUPAC name of 4-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)-2-methylpyrimidine (CID 1476797) is 4-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)-2-methylpyrimidine.
What is the SMILES notation for 4-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)-2-methylpyrimidine?
The canonical SMILES for 4-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)-2-methylpyrimidine is COCc1cc(SCc2ccc(Cl)cc2)nc(C)n1.
What is the InChIKey of 4-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)-2-methylpyrimidine?
The InChIKey is AWITWNZEMGCJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c1-10-16-13(8-18-2)7-14(17-10)19-9-11-3-5-12(15)6-4-11/h3-7H,8-9H2,1-2H3.
What are the key properties of 4-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)-2-methylpyrimidine?
4-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)-2-methylpyrimidine has a molecular weight of 294.81 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)-2-methylpyrimidine is sourced from PubChem (CID 1476797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).