2-(3-methylbutoxy)-4-methylsulfanylpyrimidine

C10H16N2OS — CID 58044658

IUPAC2-(3-methylbutoxy)-4-methylsulfanylpyrimidine
SMILESCSc1ccnc(OCCC(C)C)n1
InChIInChI=1S/C10H16N2OS/c1-8(2)5-7-13-10-11-6-4-9(12-10)14-3/h4,6,8H,5,7H2,1-3H3
InChIKeyWDRXOQNCBBXCER-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.62
Rot. Bonds5

About 2-(3-methylbutoxy)-4-methylsulfanylpyrimidine

2-(3-methylbutoxy)-4-methylsulfanylpyrimidine (PubChem CID 58044658) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-(3-methylbutoxy)-4-methylsulfanylpyrimidine.

Molecular Properties

Compound Name2-(3-methylbutoxy)-4-methylsulfanylpyrimidine
PubChem CID58044658
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name2-(3-methylbutoxy)-4-methylsulfanylpyrimidine
SMILESCSc1ccnc(OCCC(C)C)n1
InChIInChI=1S/C10H16N2OS/c1-8(2)5-7-13-10-11-6-4-9(12-10)14-3/h4,6,8H,5,7H2,1-3H3
InChIKeyWDRXOQNCBBXCER-UHFFFAOYSA-N
XLogP2.62
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutoxy)-4-methylsulfanylpyrimidine?
The IUPAC name of 2-(3-methylbutoxy)-4-methylsulfanylpyrimidine (CID 58044658) is 2-(3-methylbutoxy)-4-methylsulfanylpyrimidine.
What is the SMILES notation for 2-(3-methylbutoxy)-4-methylsulfanylpyrimidine?
The canonical SMILES for 2-(3-methylbutoxy)-4-methylsulfanylpyrimidine is CSc1ccnc(OCCC(C)C)n1.
What is the InChIKey of 2-(3-methylbutoxy)-4-methylsulfanylpyrimidine?
The InChIKey is WDRXOQNCBBXCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-8(2)5-7-13-10-11-6-4-9(12-10)14-3/h4,6,8H,5,7H2,1-3H3.
What are the key properties of 2-(3-methylbutoxy)-4-methylsulfanylpyrimidine?
2-(3-methylbutoxy)-4-methylsulfanylpyrimidine has a molecular weight of 212.32 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutoxy)-4-methylsulfanylpyrimidine is sourced from PubChem (CID 58044658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).