[2,6-bis(methoxymethyl)pyrimidin-4-yl]oxy-dimethoxy-sulfanylidene-lambda5-phosphane

C10H17N2O5PS — CID 12805820

IUPAC[2,6-bis(methoxymethyl)pyrimidin-4-yl]oxy-dimethoxy-sulfanylidene-lambda5-phosphane
SMILESCOCc1cc(OP(=S)(OC)OC)nc(COC)n1
InChIInChI=1S/C10H17N2O5PS/c1-13-6-8-5-10(12-9(11-8)7-14-2)17-18(19,15-3)16-4/h5H,6-7H2,1-4H3
InChIKeyASGGJKJJXKWTRI-UHFFFAOYSA-N
MW308.30 g/mol
LogP1.67
Rot. Bonds8

About [2,6-bis(methoxymethyl)pyrimidin-4-yl]oxy-dimethoxy-sulfanylidene-lambda5-phosphane

[2,6-bis(methoxymethyl)pyrimidin-4-yl]oxy-dimethoxy-sulfanylidene-lambda5-phosphane (PubChem CID 12805820) has the molecular formula C10H17N2O5PS and a molecular weight of 308.30 g/mol. Its IUPAC name is [2,6-bis(methoxymethyl)pyrimidin-4-yl]oxy-dimethoxy-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Name[2,6-bis(methoxymethyl)pyrimidin-4-yl]oxy-dimethoxy-sulfanylidene-lambda5-phosphane
PubChem CID12805820
Molecular FormulaC10H17N2O5PS
Molecular Weight308.30 g/mol
Exact Mass308.06
IUPAC Name[2,6-bis(methoxymethyl)pyrimidin-4-yl]oxy-dimethoxy-sulfanylidene-lambda5-phosphane
SMILESCOCc1cc(OP(=S)(OC)OC)nc(COC)n1
InChIInChI=1S/C10H17N2O5PS/c1-13-6-8-5-10(12-9(11-8)7-14-2)17-18(19,15-3)16-4/h5H,6-7H2,1-4H3
InChIKeyASGGJKJJXKWTRI-UHFFFAOYSA-N
XLogP1.67
TPSA71.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 51.67
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-dimethoxy-sulfanylidene-lambda5-phosphane?
The IUPAC name of [2,6-bis(methoxymethyl)pyrimidin-4-yl]oxy-dimethoxy-sulfanylidene-lambda5-phosphane (CID 12805820) is [2,6-bis(methoxymethyl)pyrimidin-4-yl]oxy-dimethoxy-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for [2,6-bis(methoxymethyl)pyrimidin-4-yl]oxy-dimethoxy-sulfanylidene-lambda5-phosphane?
The canonical SMILES for [2,6-bis(methoxymethyl)pyrimidin-4-yl]oxy-dimethoxy-sulfanylidene-lambda5-phosphane is COCc1cc(OP(=S)(OC)OC)nc(COC)n1.
What is the InChIKey of [2,6-bis(methoxymethyl)pyrimidin-4-yl]oxy-dimethoxy-sulfanylidene-lambda5-phosphane?
The InChIKey is ASGGJKJJXKWTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N2O5PS/c1-13-6-8-5-10(12-9(11-8)7-14-2)17-18(19,15-3)16-4/h5H,6-7H2,1-4H3.
What are the key properties of [2,6-bis(methoxymethyl)pyrimidin-4-yl]oxy-dimethoxy-sulfanylidene-lambda5-phosphane?
[2,6-bis(methoxymethyl)pyrimidin-4-yl]oxy-dimethoxy-sulfanylidene-lambda5-phosphane has a molecular weight of 308.30 g/mol, XLogP of 1.67, 8 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-dimethoxy-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 12805820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).