[2,6-bis(methoxymethyl)pyrimidin-4-yl]oxy-diethoxy-sulfanylidene-λ5-phosphane

C12H21N2O5PS — CID 12805746

IUPAC[2,6-bis(methoxymethyl)pyrimidin-4-yl]oxy-diethoxy-sulfanylidene-λ5-phosphane
SMILESCCOP(=S)(OCC)Oc1cc(COC)nc(COC)n1
InChIInChI=1S/C12H21N2O5PS/c1-5-17-20(21,18-6-2)19-12-7-10(8-15-3)13-11(14-12)9-16-4/h7H,5-6,8-9H2,1-4H3
InChIKeyJXCFXYPDEPXVFM-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.45
Rot. Bonds10

About [2,6-bis(methoxymethyl)pyrimidin-4-yl]oxy-diethoxy-sulfanylidene-λ5-phosphane

[2,6-bis(methoxymethyl)pyrimidin-4-yl]oxy-diethoxy-sulfanylidene-λ5-phosphane (PubChem CID 12805746) has the molecular formula C12H21N2O5PS and a molecular weight of 336.35 g/mol. Its IUPAC name is [2,6-bis(methoxymethyl)pyrimidin-4-yl]oxy-diethoxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name[2,6-bis(methoxymethyl)pyrimidin-4-yl]oxy-diethoxy-sulfanylidene-λ5-phosphane
PubChem CID12805746
Molecular FormulaC12H21N2O5PS
Molecular Weight336.35 g/mol
Exact Mass336.09
IUPAC Name[2,6-bis(methoxymethyl)pyrimidin-4-yl]oxy-diethoxy-sulfanylidene-λ5-phosphane
SMILESCCOP(=S)(OCC)Oc1cc(COC)nc(COC)n1
InChIInChI=1S/C12H21N2O5PS/c1-5-17-20(21,18-6-2)19-12-7-10(8-15-3)13-11(14-12)9-16-4/h7H,5-6,8-9H2,1-4H3
InChIKeyJXCFXYPDEPXVFM-UHFFFAOYSA-N
XLogP2.45
TPSA71.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2,6-bis(methoxymethyl)pyrimidin-4-yl]oxy-diethoxy-sulfanylidene-λ5-phosphane?
The IUPAC name of [2,6-bis(methoxymethyl)pyrimidin-4-yl]oxy-diethoxy-sulfanylidene-λ5-phosphane (CID 12805746) is [2,6-bis(methoxymethyl)pyrimidin-4-yl]oxy-diethoxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for [2,6-bis(methoxymethyl)pyrimidin-4-yl]oxy-diethoxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for [2,6-bis(methoxymethyl)pyrimidin-4-yl]oxy-diethoxy-sulfanylidene-λ5-phosphane is CCOP(=S)(OCC)Oc1cc(COC)nc(COC)n1.
What is the InChIKey of [2,6-bis(methoxymethyl)pyrimidin-4-yl]oxy-diethoxy-sulfanylidene-λ5-phosphane?
The InChIKey is JXCFXYPDEPXVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N2O5PS/c1-5-17-20(21,18-6-2)19-12-7-10(8-15-3)13-11(14-12)9-16-4/h7H,5-6,8-9H2,1-4H3.
What are the key properties of [2,6-bis(methoxymethyl)pyrimidin-4-yl]oxy-diethoxy-sulfanylidene-λ5-phosphane?
[2,6-bis(methoxymethyl)pyrimidin-4-yl]oxy-diethoxy-sulfanylidene-λ5-phosphane has a molecular weight of 336.35 g/mol, XLogP of 2.45, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-bis(methoxymethyl)pyrimidin-4-yl]oxy-diethoxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 12805746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).