4,6-diethoxy-2-methylsulfonylpyrimidine

C9H14N2O4S — CID 850251

IUPAC4,6-diethoxy-2-methylsulfonylpyrimidine
SMILESCCOc1cc(OCC)nc(S(C)(=O)=O)n1
InChIInChI=1S/C9H14N2O4S/c1-4-14-7-6-8(15-5-2)11-9(10-7)16(3,12)13/h6H,4-5H2,1-3H3
InChIKeyCKGDFMPVZVBWQQ-UHFFFAOYSA-N
MW246.29 g/mol
LogP0.68
Rot. Bonds5

About 4,6-diethoxy-2-methylsulfonylpyrimidine

4,6-diethoxy-2-methylsulfonylpyrimidine (PubChem CID 850251) has the molecular formula C9H14N2O4S and a molecular weight of 246.29 g/mol. Its IUPAC name is 4,6-diethoxy-2-methylsulfonylpyrimidine.

Molecular Properties

Compound Name4,6-diethoxy-2-methylsulfonylpyrimidine
PubChem CID850251
Molecular FormulaC9H14N2O4S
Molecular Weight246.29 g/mol
Exact Mass246.07
IUPAC Name4,6-diethoxy-2-methylsulfonylpyrimidine
SMILESCCOc1cc(OCC)nc(S(C)(=O)=O)n1
InChIInChI=1S/C9H14N2O4S/c1-4-14-7-6-8(15-5-2)11-9(10-7)16(3,12)13/h6H,4-5H2,1-3H3
InChIKeyCKGDFMPVZVBWQQ-UHFFFAOYSA-N
XLogP0.68
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine
CID 838363
4,6-Dimethoxy-2-methylthiopyrimidine
CID 2746756
2,4,6-Triisobutoxy-pyrimidine
CID 25128815
4,6-diethoxy-2-methylPyrimidine
CID 12415536
2-Amino-4,6-diethoxypyrimidine
CID 2337561
2-Ethoxy-4,6-dimethoxypyrimidine
CID 21611214
4-Ethoxy-6-methoxypyrimidin-2-amine
CID 22104173
2,4-Dimethoxy-6-methylsulfonylpyrimidine
CID 123479315
4,6-Bis(difluoromethoxy)-2-methylsulfonylpyrimidine
CID 13491830
4-(Difluoromethoxy)-6-(1,1,2,3,3,3-hexafluoropropoxy)-2-methylsulfanylpyrimidine
CID 13961962
4-(Difluoromethoxy)-6-methoxy-2-methylsulfonylpyrimidine
CID 19100538
2-Ethoxy-4,6-bis(1-fluoroethoxy)pyrimidine
CID 19419820

Frequently Asked Questions

What is the IUPAC name of 4,6-diethoxy-2-methylsulfonylpyrimidine?
The IUPAC name of 4,6-diethoxy-2-methylsulfonylpyrimidine (CID 850251) is 4,6-diethoxy-2-methylsulfonylpyrimidine.
What is the SMILES notation for 4,6-diethoxy-2-methylsulfonylpyrimidine?
The canonical SMILES for 4,6-diethoxy-2-methylsulfonylpyrimidine is CCOc1cc(OCC)nc(S(C)(=O)=O)n1.
What is the InChIKey of 4,6-diethoxy-2-methylsulfonylpyrimidine?
The InChIKey is CKGDFMPVZVBWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4S/c1-4-14-7-6-8(15-5-2)11-9(10-7)16(3,12)13/h6H,4-5H2,1-3H3.
What are the key properties of 4,6-diethoxy-2-methylsulfonylpyrimidine?
4,6-diethoxy-2-methylsulfonylpyrimidine has a molecular weight of 246.29 g/mol, XLogP of 0.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diethoxy-2-methylsulfonylpyrimidine is sourced from PubChem (CID 850251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).