4-(1,4-dioxan-2-ylmethoxy)-6-methyl-2-methylsulfonylpyrimidine

C11H16N2O5S — CID 164856313

IUPAC4-(1,4-dioxan-2-ylmethoxy)-6-methyl-2-methylsulfonylpyrimidine
SMILESCc1cc(OCC2COCCO2)nc(S(C)(=O)=O)n1
InChIInChI=1S/C11H16N2O5S/c1-8-5-10(13-11(12-8)19(2,14)15)18-7-9-6-16-3-4-17-9/h5,9H,3-4,6-7H2,1-2H3
InChIKeyDOMHSUBINSMPCF-UHFFFAOYSA-N
MW288.32 g/mol
LogP-0.02
Rot. Bonds4

About 4-(1,4-dioxan-2-ylmethoxy)-6-methyl-2-methylsulfonylpyrimidine

4-(1,4-dioxan-2-ylmethoxy)-6-methyl-2-methylsulfonylpyrimidine (PubChem CID 164856313) has the molecular formula C11H16N2O5S and a molecular weight of 288.32 g/mol. Its IUPAC name is 4-(1,4-dioxan-2-ylmethoxy)-6-methyl-2-methylsulfonylpyrimidine.

Molecular Properties

Compound Name4-(1,4-dioxan-2-ylmethoxy)-6-methyl-2-methylsulfonylpyrimidine
PubChem CID164856313
Molecular FormulaC11H16N2O5S
Molecular Weight288.32 g/mol
Exact Mass288.08
IUPAC Name4-(1,4-dioxan-2-ylmethoxy)-6-methyl-2-methylsulfonylpyrimidine
SMILESCc1cc(OCC2COCCO2)nc(S(C)(=O)=O)n1
InChIInChI=1S/C11H16N2O5S/c1-8-5-10(13-11(12-8)19(2,14)15)18-7-9-6-16-3-4-17-9/h5,9H,3-4,6-7H2,1-2H3
InChIKeyDOMHSUBINSMPCF-UHFFFAOYSA-N
XLogP-0.02
TPSA87.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(1,4-dioxan-2-ylmethoxy)-1,6-dimethylpyrimidin-2-one
CID 164856478
2-[[4-(2-cyclopropylethynyl)phenyl]methoxy]-4-[[(2R)-1,4-dioxan-2-yl]methoxy]-6-methylpyrimidine
CID 164856238
2-chloro-4-(1,4-dioxan-2-ylmethoxy)-6-methoxypyridine
CID 164856462
1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethyl methanesulfonate
CID 10714329
2-[(4-methoxyphenoxy)methyl]-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 102286855
3-(1,4-dioxan-2-ylmethoxy)-4-methylpyridine
CID 175366959
1-[[4-(2-cyclopropylethynyl)phenyl]methyl]-4-(1,4-dioxan-2-ylmethoxy)-6-methylpyrimidin-2-one
CID 164856021
2-(1,4-dioxan-2-ylmethoxy)-9-[(3-methyl-1,2-oxazol-5-yl)methoxy]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 71617445
2-[[(2S)-1,4-dioxan-2-yl]methoxy]-9-(2-methoxyethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 71616974
4-[4-(2-cyclopropylethynyl)-2-methylphenyl]-6-(1,4-dioxan-2-ylmethoxy)-2-methoxypyrimidine
CID 164856413
2-(1,4-dioxan-2-ylmethoxy)-9-methyliodanuidyl-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 163491913
6-(1,4-dioxan-2-ylmethoxy)-3-methyl-4-phenylmethoxy-2-[2-(4-propylphenyl)ethynyl]pyridine
CID 166529813

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxan-2-ylmethoxy)-6-methyl-2-methylsulfonylpyrimidine?
The IUPAC name of 4-(1,4-dioxan-2-ylmethoxy)-6-methyl-2-methylsulfonylpyrimidine (CID 164856313) is 4-(1,4-dioxan-2-ylmethoxy)-6-methyl-2-methylsulfonylpyrimidine.
What is the SMILES notation for 4-(1,4-dioxan-2-ylmethoxy)-6-methyl-2-methylsulfonylpyrimidine?
The canonical SMILES for 4-(1,4-dioxan-2-ylmethoxy)-6-methyl-2-methylsulfonylpyrimidine is Cc1cc(OCC2COCCO2)nc(S(C)(=O)=O)n1.
What is the InChIKey of 4-(1,4-dioxan-2-ylmethoxy)-6-methyl-2-methylsulfonylpyrimidine?
The InChIKey is DOMHSUBINSMPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-8-5-10(13-11(12-8)19(2,14)15)18-7-9-6-16-3-4-17-9/h5,9H,3-4,6-7H2,1-2H3.
What are the key properties of 4-(1,4-dioxan-2-ylmethoxy)-6-methyl-2-methylsulfonylpyrimidine?
4-(1,4-dioxan-2-ylmethoxy)-6-methyl-2-methylsulfonylpyrimidine has a molecular weight of 288.32 g/mol, XLogP of -0.02, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxan-2-ylmethoxy)-6-methyl-2-methylsulfonylpyrimidine is sourced from PubChem (CID 164856313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).