2-methoxy-5-(1-methylsulfanylethyl)pyrimidine

C8H12N2OS — CID 148642376

IUPAC2-methoxy-5-(1-methylsulfanylethyl)pyrimidine
SMILESCOc1ncc(C(C)SC)cn1
InChIInChI=1S/C8H12N2OS/c1-6(12-3)7-4-9-8(11-2)10-5-7/h4-6H,1-3H3
InChIKeyNKHCFRIOLDXEMW-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.91
Rot. Bonds3

About 2-methoxy-5-(1-methylsulfanylethyl)pyrimidine

2-methoxy-5-(1-methylsulfanylethyl)pyrimidine (PubChem CID 148642376) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-methoxy-5-(1-methylsulfanylethyl)pyrimidine.

Molecular Properties

Compound Name2-methoxy-5-(1-methylsulfanylethyl)pyrimidine
PubChem CID148642376
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name2-methoxy-5-(1-methylsulfanylethyl)pyrimidine
SMILESCOc1ncc(C(C)SC)cn1
InChIInChI=1S/C8H12N2OS/c1-6(12-3)7-4-9-8(11-2)10-5-7/h4-6H,1-3H3
InChIKeyNKHCFRIOLDXEMW-UHFFFAOYSA-N
XLogP1.91
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(1-methylsulfanylethyl)pyrimidine?
The IUPAC name of 2-methoxy-5-(1-methylsulfanylethyl)pyrimidine (CID 148642376) is 2-methoxy-5-(1-methylsulfanylethyl)pyrimidine.
What is the SMILES notation for 2-methoxy-5-(1-methylsulfanylethyl)pyrimidine?
The canonical SMILES for 2-methoxy-5-(1-methylsulfanylethyl)pyrimidine is COc1ncc(C(C)SC)cn1.
What is the InChIKey of 2-methoxy-5-(1-methylsulfanylethyl)pyrimidine?
The InChIKey is NKHCFRIOLDXEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-6(12-3)7-4-9-8(11-2)10-5-7/h4-6H,1-3H3.
What are the key properties of 2-methoxy-5-(1-methylsulfanylethyl)pyrimidine?
2-methoxy-5-(1-methylsulfanylethyl)pyrimidine has a molecular weight of 184.26 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(1-methylsulfanylethyl)pyrimidine is sourced from PubChem (CID 148642376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).