4-(1,4-dioxan-2-ylmethoxy)-1,6-dimethylpyrimidin-2-one

C11H16N2O4 — CID 164856478

IUPAC4-(1,4-dioxan-2-ylmethoxy)-1,6-dimethylpyrimidin-2-one
SMILESCc1cc(OCC2COCCO2)nc(=O)n1C
InChIInChI=1S/C11H16N2O4/c1-8-5-10(12-11(14)13(8)2)17-7-9-6-15-3-4-16-9/h5,9H,3-4,6-7H2,1-2H3
InChIKeyVWTWVJDSAIPTGQ-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.12
Rot. Bonds3

About 4-(1,4-dioxan-2-ylmethoxy)-1,6-dimethylpyrimidin-2-one

4-(1,4-dioxan-2-ylmethoxy)-1,6-dimethylpyrimidin-2-one (PubChem CID 164856478) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-(1,4-dioxan-2-ylmethoxy)-1,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name4-(1,4-dioxan-2-ylmethoxy)-1,6-dimethylpyrimidin-2-one
PubChem CID164856478
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name4-(1,4-dioxan-2-ylmethoxy)-1,6-dimethylpyrimidin-2-one
SMILESCc1cc(OCC2COCCO2)nc(=O)n1C
InChIInChI=1S/C11H16N2O4/c1-8-5-10(12-11(14)13(8)2)17-7-9-6-15-3-4-16-9/h5,9H,3-4,6-7H2,1-2H3
InChIKeyVWTWVJDSAIPTGQ-UHFFFAOYSA-N
XLogP-0.12
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[4-(2-cyclopropylethynyl)phenyl]methyl]-4-(1,4-dioxan-2-ylmethoxy)-6-methylpyrimidin-2-one
CID 164856021
4-(1,4-dioxan-2-ylmethoxy)-6-methyl-2-methylsulfonylpyrimidine
CID 164856313
2-(1,4-dioxan-2-ylmethoxy)-9-methyliodanuidyl-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 163491913
9-(3,3-dimethylbut-1-ynyl)-2-(1,4-dioxan-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 71617444
9-(2,6-dimethoxy-3-pyridinyl)-2-(1,4-dioxan-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 71615920
2-[[(2S)-1,4-dioxan-2-yl]methoxy]-9-(2-methoxyethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 71616974
2-(1,4-dioxan-2-ylmethoxy)-9-(3-methoxyphenyl)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 71617207
2-[(4-methoxyphenoxy)methyl]-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 102286855
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-chloro-4-(1,4-dioxan-2-ylmethoxy)-6-methoxypyridine
CID 164856462
12-[[(2S)-1,4-dioxan-2-yl]methoxy]-4-(3-hydroxy-3-methylbut-1-ynyl)-3-thia-9,11-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,11-tetraen-10-one
CID 167206676
9-(2,3-dimethoxyphenyl)-2-(1,4-dioxan-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 71617672

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxan-2-ylmethoxy)-1,6-dimethylpyrimidin-2-one?
The IUPAC name of 4-(1,4-dioxan-2-ylmethoxy)-1,6-dimethylpyrimidin-2-one (CID 164856478) is 4-(1,4-dioxan-2-ylmethoxy)-1,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 4-(1,4-dioxan-2-ylmethoxy)-1,6-dimethylpyrimidin-2-one?
The canonical SMILES for 4-(1,4-dioxan-2-ylmethoxy)-1,6-dimethylpyrimidin-2-one is Cc1cc(OCC2COCCO2)nc(=O)n1C.
What is the InChIKey of 4-(1,4-dioxan-2-ylmethoxy)-1,6-dimethylpyrimidin-2-one?
The InChIKey is VWTWVJDSAIPTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-8-5-10(12-11(14)13(8)2)17-7-9-6-15-3-4-16-9/h5,9H,3-4,6-7H2,1-2H3.
What are the key properties of 4-(1,4-dioxan-2-ylmethoxy)-1,6-dimethylpyrimidin-2-one?
4-(1,4-dioxan-2-ylmethoxy)-1,6-dimethylpyrimidin-2-one has a molecular weight of 240.26 g/mol, XLogP of -0.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxan-2-ylmethoxy)-1,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 164856478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).