2-(2-methoxyethylsulfanyl)-4,6-dimethylpyrimidine

C9H14N2OS — CID 4204325

IUPAC2-(2-methoxyethylsulfanyl)-4,6-dimethylpyrimidine
SMILESCOCCSc1nc(C)cc(C)n1
InChIInChI=1S/C9H14N2OS/c1-7-6-8(2)11-9(10-7)13-5-4-12-3/h6H,4-5H2,1-3H3
InChIKeyBCBKJFRPAROYJS-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.83
Rot. Bonds4

About 2-(2-methoxyethylsulfanyl)-4,6-dimethylpyrimidine

2-(2-methoxyethylsulfanyl)-4,6-dimethylpyrimidine (PubChem CID 4204325) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfanyl)-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-(2-methoxyethylsulfanyl)-4,6-dimethylpyrimidine
PubChem CID4204325
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name2-(2-methoxyethylsulfanyl)-4,6-dimethylpyrimidine
SMILESCOCCSc1nc(C)cc(C)n1
InChIInChI=1S/C9H14N2OS/c1-7-6-8(2)11-9(10-7)13-5-4-12-3/h6H,4-5H2,1-3H3
InChIKeyBCBKJFRPAROYJS-UHFFFAOYSA-N
XLogP1.83
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylethanamine
CID 747180
2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethylsulfanyl]-4,6-dimethylpyrimidine
CID 802777
6-methyl-2-[2-(trifluoromethoxy)ethylsulfanyl]pyrimidin-4-amine
CID 115331100
2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl-diethylazanium
CID 5210343
4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethoxy]benzoic acid
CID 62304780
4-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropoxy]aniline
CID 62304959
2-chloro-4-methoxy-6-(2-methoxyethylsulfanyl)-1,3,5-triazine
CID 62858857
6-methyl-2-(2-phenoxyethylsulfanyl)pyrimidin-4-amine
CID 47110969
2-butoxy-N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]ethanamine
CID 55092352
4-methoxy-6-(2-methoxyethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine
CID 80883876
4,6-dimethyl-2-(2-pyridin-4-ylethylsulfanyl)pyrimidine;hydron;chloride
CID 652517
6-(4,6-dimethylpyrimidin-2-yl)sulfanylhexan-2-amine
CID 64633700

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylsulfanyl)-4,6-dimethylpyrimidine?
The IUPAC name of 2-(2-methoxyethylsulfanyl)-4,6-dimethylpyrimidine (CID 4204325) is 2-(2-methoxyethylsulfanyl)-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-(2-methoxyethylsulfanyl)-4,6-dimethylpyrimidine?
The canonical SMILES for 2-(2-methoxyethylsulfanyl)-4,6-dimethylpyrimidine is COCCSc1nc(C)cc(C)n1.
What is the InChIKey of 2-(2-methoxyethylsulfanyl)-4,6-dimethylpyrimidine?
The InChIKey is BCBKJFRPAROYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-7-6-8(2)11-9(10-7)13-5-4-12-3/h6H,4-5H2,1-3H3.
What are the key properties of 2-(2-methoxyethylsulfanyl)-4,6-dimethylpyrimidine?
2-(2-methoxyethylsulfanyl)-4,6-dimethylpyrimidine has a molecular weight of 198.29 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfanyl)-4,6-dimethylpyrimidine is sourced from PubChem (CID 4204325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).