5-methoxy-4-(oxan-4-ylmethoxy)-1H-pyrimidin-6-one

C11H16N2O4 — CID 103241618

IUPAC5-methoxy-4-(oxan-4-ylmethoxy)-1H-pyrimidin-6-one
SMILESCOc1c(OCC2CCOCC2)nc[nH]c1=O
InChIInChI=1S/C11H16N2O4/c1-15-9-10(14)12-7-13-11(9)17-6-8-2-4-16-5-3-8/h7-8H,2-6H2,1H3,(H,12,13,14)
InChIKeyFYENWCDHMOKQKX-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.58
Rot. Bonds4

About 5-methoxy-4-(oxan-4-ylmethoxy)-1H-pyrimidin-6-one

5-methoxy-4-(oxan-4-ylmethoxy)-1H-pyrimidin-6-one (PubChem CID 103241618) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-methoxy-4-(oxan-4-ylmethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-(oxan-4-ylmethoxy)-1H-pyrimidin-6-one
PubChem CID103241618
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name5-methoxy-4-(oxan-4-ylmethoxy)-1H-pyrimidin-6-one
SMILESCOc1c(OCC2CCOCC2)nc[nH]c1=O
InChIInChI=1S/C11H16N2O4/c1-15-9-10(14)12-7-13-11(9)17-6-8-2-4-16-5-3-8/h7-8H,2-6H2,1H3,(H,12,13,14)
InChIKeyFYENWCDHMOKQKX-UHFFFAOYSA-N
XLogP0.58
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(aminomethyl)cyclohexyl]methoxy]-5-methoxy-1H-pyrimidin-6-one
CID 114586524
4-(3-ethylcyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one
CID 103241726
5-methoxy-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
CID 114586320
5-methoxy-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114796589
5-methoxy-4-(3-methylbutoxy)-1H-pyrimidin-6-one
CID 103240608
2-chloro-6-(oxan-4-ylmethoxy)-7H-purine
CID 113453025
4-[(1-aminocycloheptyl)methoxy]-5-methoxy-1H-pyrimidin-6-one
CID 114586499
5-amino-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one
CID 114586350
5-chloro-4-[methyl(oxan-4-ylmethyl)amino]-1H-pyrimidin-6-one
CID 137009662
5-methoxy-4-(4-propylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137009463
4-(cyclopropylmethoxy)-5-methoxy-6-methylpyrimidine
CID 129261235
6-(oxan-4-ylmethoxy)-N-propyl-7H-purin-2-amine
CID 114787653

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(oxan-4-ylmethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-(oxan-4-ylmethoxy)-1H-pyrimidin-6-one (CID 103241618) is 5-methoxy-4-(oxan-4-ylmethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-(oxan-4-ylmethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-(oxan-4-ylmethoxy)-1H-pyrimidin-6-one is COc1c(OCC2CCOCC2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-(oxan-4-ylmethoxy)-1H-pyrimidin-6-one?
The InChIKey is FYENWCDHMOKQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-15-9-10(14)12-7-13-11(9)17-6-8-2-4-16-5-3-8/h7-8H,2-6H2,1H3,(H,12,13,14).
What are the key properties of 5-methoxy-4-(oxan-4-ylmethoxy)-1H-pyrimidin-6-one?
5-methoxy-4-(oxan-4-ylmethoxy)-1H-pyrimidin-6-one has a molecular weight of 240.26 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(oxan-4-ylmethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103241618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).