4-(1,4-dioxan-2-ylmethoxy)-2-methyl-1H-pyrimidin-6-one

C10H14N2O4 — CID 164856640

IUPAC4-(1,4-dioxan-2-ylmethoxy)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(OCC2COCCO2)cc(=O)[nH]1
InChIInChI=1S/C10H14N2O4/c1-7-11-9(13)4-10(12-7)16-6-8-5-14-2-3-15-8/h4,8H,2-3,5-6H2,1H3,(H,11,12,13)
InChIKeyPMGUJUXHKKUCEG-UHFFFAOYSA-N
MW226.23 g/mol
LogP-0.13
Rot. Bonds3

About 4-(1,4-dioxan-2-ylmethoxy)-2-methyl-1H-pyrimidin-6-one

4-(1,4-dioxan-2-ylmethoxy)-2-methyl-1H-pyrimidin-6-one (PubChem CID 164856640) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 4-(1,4-dioxan-2-ylmethoxy)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(1,4-dioxan-2-ylmethoxy)-2-methyl-1H-pyrimidin-6-one
PubChem CID164856640
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name4-(1,4-dioxan-2-ylmethoxy)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(OCC2COCCO2)cc(=O)[nH]1
InChIInChI=1S/C10H14N2O4/c1-7-11-9(13)4-10(12-7)16-6-8-5-14-2-3-15-8/h4,8H,2-3,5-6H2,1H3,(H,11,12,13)
InChIKeyPMGUJUXHKKUCEG-UHFFFAOYSA-N
XLogP-0.13
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxan-2-ylmethoxy)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(1,4-dioxan-2-ylmethoxy)-2-methyl-1H-pyrimidin-6-one (CID 164856640) is 4-(1,4-dioxan-2-ylmethoxy)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(1,4-dioxan-2-ylmethoxy)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(1,4-dioxan-2-ylmethoxy)-2-methyl-1H-pyrimidin-6-one is Cc1nc(OCC2COCCO2)cc(=O)[nH]1.
What is the InChIKey of 4-(1,4-dioxan-2-ylmethoxy)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is PMGUJUXHKKUCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-7-11-9(13)4-10(12-7)16-6-8-5-14-2-3-15-8/h4,8H,2-3,5-6H2,1H3,(H,11,12,13).
What are the key properties of 4-(1,4-dioxan-2-ylmethoxy)-2-methyl-1H-pyrimidin-6-one?
4-(1,4-dioxan-2-ylmethoxy)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 226.23 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxan-2-ylmethoxy)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 164856640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).