4-methyl-2-methylsulfanyl-6-propan-2-yloxypyrimidine

C9H14N2OS — CID 59637064

IUPAC4-methyl-2-methylsulfanyl-6-propan-2-yloxypyrimidine
SMILESCSc1nc(C)cc(OC(C)C)n1
InChIInChI=1S/C9H14N2OS/c1-6(2)12-8-5-7(3)10-9(11-8)13-4/h5-6H,1-4H3
InChIKeyQVYZJJYOTKJSBJ-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.29
Rot. Bonds3

About 4-methyl-2-methylsulfanyl-6-propan-2-yloxypyrimidine

4-methyl-2-methylsulfanyl-6-propan-2-yloxypyrimidine (PubChem CID 59637064) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 4-methyl-2-methylsulfanyl-6-propan-2-yloxypyrimidine.

Molecular Properties

Compound Name4-methyl-2-methylsulfanyl-6-propan-2-yloxypyrimidine
PubChem CID59637064
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name4-methyl-2-methylsulfanyl-6-propan-2-yloxypyrimidine
SMILESCSc1nc(C)cc(OC(C)C)n1
InChIInChI=1S/C9H14N2OS/c1-6(2)12-8-5-7(3)10-9(11-8)13-4/h5-6H,1-4H3
InChIKeyQVYZJJYOTKJSBJ-UHFFFAOYSA-N
XLogP2.29
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methylsulfanyl-6-propan-2-yloxypyrimidine?
The IUPAC name of 4-methyl-2-methylsulfanyl-6-propan-2-yloxypyrimidine (CID 59637064) is 4-methyl-2-methylsulfanyl-6-propan-2-yloxypyrimidine.
What is the SMILES notation for 4-methyl-2-methylsulfanyl-6-propan-2-yloxypyrimidine?
The canonical SMILES for 4-methyl-2-methylsulfanyl-6-propan-2-yloxypyrimidine is CSc1nc(C)cc(OC(C)C)n1.
What is the InChIKey of 4-methyl-2-methylsulfanyl-6-propan-2-yloxypyrimidine?
The InChIKey is QVYZJJYOTKJSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-6(2)12-8-5-7(3)10-9(11-8)13-4/h5-6H,1-4H3.
What are the key properties of 4-methyl-2-methylsulfanyl-6-propan-2-yloxypyrimidine?
4-methyl-2-methylsulfanyl-6-propan-2-yloxypyrimidine has a molecular weight of 198.29 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylsulfanyl-6-propan-2-yloxypyrimidine is sourced from PubChem (CID 59637064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).