4-(diethoxymethyl)-6-methyl-2-methylsulfanylpyrimidine

C11H18N2O2S — CID 121223570

IUPAC4-(diethoxymethyl)-6-methyl-2-methylsulfanylpyrimidine
SMILESCCOC(OCC)c1cc(C)nc(SC)n1
InChIInChI=1S/C11H18N2O2S/c1-5-14-10(15-6-2)9-7-8(3)12-11(13-9)16-4/h7,10H,5-6H2,1-4H3
InChIKeyAPEIRBAIXOVBHA-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.58
Rot. Bonds6

About 4-(diethoxymethyl)-6-methyl-2-methylsulfanylpyrimidine

4-(diethoxymethyl)-6-methyl-2-methylsulfanylpyrimidine (PubChem CID 121223570) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 4-(diethoxymethyl)-6-methyl-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-(diethoxymethyl)-6-methyl-2-methylsulfanylpyrimidine
PubChem CID121223570
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name4-(diethoxymethyl)-6-methyl-2-methylsulfanylpyrimidine
SMILESCCOC(OCC)c1cc(C)nc(SC)n1
InChIInChI=1S/C11H18N2O2S/c1-5-14-10(15-6-2)9-7-8(3)12-11(13-9)16-4/h7,10H,5-6H2,1-4H3
InChIKeyAPEIRBAIXOVBHA-UHFFFAOYSA-N
XLogP2.58
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(diethoxymethyl)-6-methyl-2-methylsulfanylpyrimidine?
The IUPAC name of 4-(diethoxymethyl)-6-methyl-2-methylsulfanylpyrimidine (CID 121223570) is 4-(diethoxymethyl)-6-methyl-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-(diethoxymethyl)-6-methyl-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-(diethoxymethyl)-6-methyl-2-methylsulfanylpyrimidine is CCOC(OCC)c1cc(C)nc(SC)n1.
What is the InChIKey of 4-(diethoxymethyl)-6-methyl-2-methylsulfanylpyrimidine?
The InChIKey is APEIRBAIXOVBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-5-14-10(15-6-2)9-7-8(3)12-11(13-9)16-4/h7,10H,5-6H2,1-4H3.
What are the key properties of 4-(diethoxymethyl)-6-methyl-2-methylsulfanylpyrimidine?
4-(diethoxymethyl)-6-methyl-2-methylsulfanylpyrimidine has a molecular weight of 242.34 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethoxymethyl)-6-methyl-2-methylsulfanylpyrimidine is sourced from PubChem (CID 121223570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).