2-(ethylsulfanylmethyl)-4,5-dimethylpyrimidine

C9H14N2S — CID 151683415

IUPAC2-(ethylsulfanylmethyl)-4,5-dimethylpyrimidine
SMILESCCSCc1ncc(C)c(C)n1
InChIInChI=1S/C9H14N2S/c1-4-12-6-9-10-5-7(2)8(3)11-9/h5H,4,6H2,1-3H3
InChIKeyRBAFNOBKIQXIDV-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.35
Rot. Bonds3

About 2-(ethylsulfanylmethyl)-4,5-dimethylpyrimidine

2-(ethylsulfanylmethyl)-4,5-dimethylpyrimidine (PubChem CID 151683415) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 2-(ethylsulfanylmethyl)-4,5-dimethylpyrimidine.

Molecular Properties

Compound Name2-(ethylsulfanylmethyl)-4,5-dimethylpyrimidine
PubChem CID151683415
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name2-(ethylsulfanylmethyl)-4,5-dimethylpyrimidine
SMILESCCSCc1ncc(C)c(C)n1
InChIInChI=1S/C9H14N2S/c1-4-12-6-9-10-5-7(2)8(3)11-9/h5H,4,6H2,1-3H3
InChIKeyRBAFNOBKIQXIDV-UHFFFAOYSA-N
XLogP2.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfanylmethyl)-4,5-dimethylpyrimidine?
The IUPAC name of 2-(ethylsulfanylmethyl)-4,5-dimethylpyrimidine (CID 151683415) is 2-(ethylsulfanylmethyl)-4,5-dimethylpyrimidine.
What is the SMILES notation for 2-(ethylsulfanylmethyl)-4,5-dimethylpyrimidine?
The canonical SMILES for 2-(ethylsulfanylmethyl)-4,5-dimethylpyrimidine is CCSCc1ncc(C)c(C)n1.
What is the InChIKey of 2-(ethylsulfanylmethyl)-4,5-dimethylpyrimidine?
The InChIKey is RBAFNOBKIQXIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-4-12-6-9-10-5-7(2)8(3)11-9/h5H,4,6H2,1-3H3.
What are the key properties of 2-(ethylsulfanylmethyl)-4,5-dimethylpyrimidine?
2-(ethylsulfanylmethyl)-4,5-dimethylpyrimidine has a molecular weight of 182.29 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfanylmethyl)-4,5-dimethylpyrimidine is sourced from PubChem (CID 151683415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).