(4-ethoxy-6-methylpyrimidin-2-yl)methylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane

C10H17N2O3PS2 — CID 13091095

IUPAC(4-ethoxy-6-methylpyrimidin-2-yl)methylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane
SMILESCCOc1cc(C)nc(CSP(=S)(OC)OC)n1
InChIInChI=1S/C10H17N2O3PS2/c1-5-15-10-6-8(2)11-9(12-10)7-18-16(17,13-3)14-4/h6H,5,7H2,1-4H3
InChIKeyLDPUSPCGMNCSOK-UHFFFAOYSA-N
MW308.37 g/mol
LogP2.93
Rot. Bonds7

About (4-ethoxy-6-methylpyrimidin-2-yl)methylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane

(4-ethoxy-6-methylpyrimidin-2-yl)methylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane (PubChem CID 13091095) has the molecular formula C10H17N2O3PS2 and a molecular weight of 308.37 g/mol. Its IUPAC name is (4-ethoxy-6-methylpyrimidin-2-yl)methylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name(4-ethoxy-6-methylpyrimidin-2-yl)methylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane
PubChem CID13091095
Molecular FormulaC10H17N2O3PS2
Molecular Weight308.37 g/mol
Exact Mass308.04
IUPAC Name(4-ethoxy-6-methylpyrimidin-2-yl)methylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane
SMILESCCOc1cc(C)nc(CSP(=S)(OC)OC)n1
InChIInChI=1S/C10H17N2O3PS2/c1-5-15-10-6-8(2)11-9(12-10)7-18-16(17,13-3)14-4/h6H,5,7H2,1-4H3
InChIKeyLDPUSPCGMNCSOK-UHFFFAOYSA-N
XLogP2.93
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-6-methylpyrimidin-2-yl)methylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane?
The IUPAC name of (4-ethoxy-6-methylpyrimidin-2-yl)methylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane (CID 13091095) is (4-ethoxy-6-methylpyrimidin-2-yl)methylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for (4-ethoxy-6-methylpyrimidin-2-yl)methylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for (4-ethoxy-6-methylpyrimidin-2-yl)methylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane is CCOc1cc(C)nc(CSP(=S)(OC)OC)n1.
What is the InChIKey of (4-ethoxy-6-methylpyrimidin-2-yl)methylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane?
The InChIKey is LDPUSPCGMNCSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N2O3PS2/c1-5-15-10-6-8(2)11-9(12-10)7-18-16(17,13-3)14-4/h6H,5,7H2,1-4H3.
What are the key properties of (4-ethoxy-6-methylpyrimidin-2-yl)methylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane?
(4-ethoxy-6-methylpyrimidin-2-yl)methylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane has a molecular weight of 308.37 g/mol, XLogP of 2.93, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-6-methylpyrimidin-2-yl)methylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 13091095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).