4-ethyl-6-(2-methoxyethylsulfanyl)-2-methylpyrimidine

C10H16N2OS — CID 133461474

IUPAC4-ethyl-6-(2-methoxyethylsulfanyl)-2-methylpyrimidine
SMILESCCc1cc(SCCOC)nc(C)n1
InChIInChI=1S/C10H16N2OS/c1-4-9-7-10(12-8(2)11-9)14-6-5-13-3/h7H,4-6H2,1-3H3
InChIKeyLPSKSRQEECLRLC-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.09
Rot. Bonds5

About 4-ethyl-6-(2-methoxyethylsulfanyl)-2-methylpyrimidine

4-ethyl-6-(2-methoxyethylsulfanyl)-2-methylpyrimidine (PubChem CID 133461474) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 4-ethyl-6-(2-methoxyethylsulfanyl)-2-methylpyrimidine.

Molecular Properties

Compound Name4-ethyl-6-(2-methoxyethylsulfanyl)-2-methylpyrimidine
PubChem CID133461474
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name4-ethyl-6-(2-methoxyethylsulfanyl)-2-methylpyrimidine
SMILESCCc1cc(SCCOC)nc(C)n1
InChIInChI=1S/C10H16N2OS/c1-4-9-7-10(12-8(2)11-9)14-6-5-13-3/h7H,4-6H2,1-3H3
InChIKeyLPSKSRQEECLRLC-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
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

4-chloro-6-(3-methoxypropylsulfanyl)-2-methylpyrimidine
CID 63856300
4-chloro-2-ethyl-6-(2-methoxyethylsulfanyl)pyrimidine
CID 80936473
2-(2-methoxyethylsulfanyl)-4,6-dimethylpyrimidine
CID 4204325
4-(2-methoxyethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566736
6-(2-methoxyethylsulfanyl)-N,2-dipropylpyrimidin-4-amine
CID 80947939
6-(2-methoxyethylsulfanyl)-2-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 113401713
N-ethyl-4-(2-methoxyethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566738
2-N-(6-ethyl-2-methylpyrimidin-4-yl)-3-methoxypropane-1,2-diamine
CID 106181686
4-chloro-6-ethyl-2-(2-methoxyethyl)pyrimidine
CID 61412759
(2S)-N-(6-ethyl-2-methylpyrimidin-4-yl)-3-methoxy-2-methylpropanamide
CID 164638276
2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-3-methoxypropanoic acid
CID 81078586
2-(2-methyl-6-propylpyrimidin-4-yl)sulfanylacetic acid
CID 94077073

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-(2-methoxyethylsulfanyl)-2-methylpyrimidine?
The IUPAC name of 4-ethyl-6-(2-methoxyethylsulfanyl)-2-methylpyrimidine (CID 133461474) is 4-ethyl-6-(2-methoxyethylsulfanyl)-2-methylpyrimidine.
What is the SMILES notation for 4-ethyl-6-(2-methoxyethylsulfanyl)-2-methylpyrimidine?
The canonical SMILES for 4-ethyl-6-(2-methoxyethylsulfanyl)-2-methylpyrimidine is CCc1cc(SCCOC)nc(C)n1.
What is the InChIKey of 4-ethyl-6-(2-methoxyethylsulfanyl)-2-methylpyrimidine?
The InChIKey is LPSKSRQEECLRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-4-9-7-10(12-8(2)11-9)14-6-5-13-3/h7H,4-6H2,1-3H3.
What are the key properties of 4-ethyl-6-(2-methoxyethylsulfanyl)-2-methylpyrimidine?
4-ethyl-6-(2-methoxyethylsulfanyl)-2-methylpyrimidine has a molecular weight of 212.32 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-(2-methoxyethylsulfanyl)-2-methylpyrimidine is sourced from PubChem (CID 133461474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).