2,4-bis(methoxymethyl)-1H-pyrimidin-6-one

C8H12N2O3 — CID 135800645

IUPAC2,4-bis(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1cc(=O)[nH]c(COC)n1
InChIInChI=1S/C8H12N2O3/c1-12-4-6-3-8(11)10-7(9-6)5-13-2/h3H,4-5H2,1-2H3,(H,9,10,11)
InChIKeyVOGSVUQENSCLHU-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.06
Rot. Bonds4

About 2,4-bis(methoxymethyl)-1H-pyrimidin-6-one

2,4-bis(methoxymethyl)-1H-pyrimidin-6-one (PubChem CID 135800645) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 2,4-bis(methoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-bis(methoxymethyl)-1H-pyrimidin-6-one
PubChem CID135800645
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name2,4-bis(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1cc(=O)[nH]c(COC)n1
InChIInChI=1S/C8H12N2O3/c1-12-4-6-3-8(11)10-7(9-6)5-13-2/h3H,4-5H2,1-2H3,(H,9,10,11)
InChIKeyVOGSVUQENSCLHU-UHFFFAOYSA-N
XLogP0.06
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(methoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2,4-bis(methoxymethyl)-1H-pyrimidin-6-one (CID 135800645) is 2,4-bis(methoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-bis(methoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-bis(methoxymethyl)-1H-pyrimidin-6-one is COCc1cc(=O)[nH]c(COC)n1.
What is the InChIKey of 2,4-bis(methoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is VOGSVUQENSCLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-12-4-6-3-8(11)10-7(9-6)5-13-2/h3H,4-5H2,1-2H3,(H,9,10,11).
What are the key properties of 2,4-bis(methoxymethyl)-1H-pyrimidin-6-one?
2,4-bis(methoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 184.19 g/mol, XLogP of 0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(methoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135800645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).