(2,6-diethoxypyrimidin-4-yl)methylsulfanyl-ethoxy-propylsulfanyl-sulfanylidene-λ5-phosphane

C14H25N2O3PS3 — CID 57162728

IUPAC(2,6-diethoxypyrimidin-4-yl)methylsulfanyl-ethoxy-propylsulfanyl-sulfanylidene-λ5-phosphane
SMILESCCCSP(=S)(OCC)SCc1cc(OCC)nc(OCC)n1
InChIInChI=1S/C14H25N2O3PS3/c1-5-9-22-20(21,19-8-4)23-11-12-10-13(17-6-2)16-14(15-12)18-7-3/h10H,5-9,11H2,1-4H3
InChIKeyHNJUSDLVWBBSBG-UHFFFAOYSA-N
MW396.54 g/mol
LogP4.91
Rot. Bonds12

About (2,6-diethoxypyrimidin-4-yl)methylsulfanyl-ethoxy-propylsulfanyl-sulfanylidene-λ5-phosphane

(2,6-diethoxypyrimidin-4-yl)methylsulfanyl-ethoxy-propylsulfanyl-sulfanylidene-λ5-phosphane (PubChem CID 57162728) has the molecular formula C14H25N2O3PS3 and a molecular weight of 396.54 g/mol. Its IUPAC name is (2,6-diethoxypyrimidin-4-yl)methylsulfanyl-ethoxy-propylsulfanyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name(2,6-diethoxypyrimidin-4-yl)methylsulfanyl-ethoxy-propylsulfanyl-sulfanylidene-λ5-phosphane
PubChem CID57162728
Molecular FormulaC14H25N2O3PS3
Molecular Weight396.54 g/mol
Exact Mass396.08
IUPAC Name(2,6-diethoxypyrimidin-4-yl)methylsulfanyl-ethoxy-propylsulfanyl-sulfanylidene-λ5-phosphane
SMILESCCCSP(=S)(OCC)SCc1cc(OCC)nc(OCC)n1
InChIInChI=1S/C14H25N2O3PS3/c1-5-9-22-20(21,19-8-4)23-11-12-10-13(17-6-2)16-14(15-12)18-7-3/h10H,5-9,11H2,1-4H3
InChIKeyHNJUSDLVWBBSBG-UHFFFAOYSA-N
XLogP4.91
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (2,6-diethoxypyrimidin-4-yl)methylsulfanyl-ethoxy-propylsulfanyl-sulfanylidene-λ5-phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-diethoxy-6-[[methoxy(propylsulfanyl)phosphoryl]sulfanylmethyl]pyrimidine
CID 23324668
(2,6-diethoxypyrimidin-4-yl)methoxy-methoxy-propylsulfanyl-sulfanylidene-λ5-phosphane
CID 88699769
ethoxy-[(2-ethoxy-6-propan-2-yloxypyrimidin-4-yl)methoxy]-propylsulfanyl-sulfanylidene-λ5-phosphane
CID 88699420
2-ethoxy-4-[[ethoxy(propylsulfanyl)phosphoryl]sulfanylmethyl]-6-methylpyrimidine
CID 57231123
2,4-diethoxy-6-[[methoxy(methylsulfanyl)phosphoryl]sulfanylmethyl]pyrimidine
CID 70472771
(2,6-diethoxypyrimidin-4-yl)methoxy-ethoxy-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane
CID 88728802
(2-chloro-6-ethoxypyrimidin-4-yl)methoxy-ethoxy-propylsulfanyl-sulfanylidene-λ5-phosphane
CID 88699257
(6-ethoxy-2-methylpyrimidin-4-yl)methylsulfanyl-dihydroxy-sulfanylidene-λ5-phosphane
CID 56631554
4-ethoxy-6-[[ethoxy(propylsulfanyl)phosphinothioyl]oxymethyl]-N,N-diethylpyrimidin-2-amine
CID 88699431
2-ethoxy-4-[[ethoxy(propylsulfanyl)phosphoryl]sulfanylmethyl]pyrimidine
CID 57234855
2-chloro-4-[[ethoxy(propylsulfanyl)phosphoryl]sulfanylmethyl]-6-methoxypyrimidine
CID 57239974
2-ethoxy-4,6-bis(2-fluoroethoxy)pyrimidine
CID 57041324

Frequently Asked Questions

What is the IUPAC name of (2,6-diethoxypyrimidin-4-yl)methylsulfanyl-ethoxy-propylsulfanyl-sulfanylidene-λ5-phosphane?
The IUPAC name of (2,6-diethoxypyrimidin-4-yl)methylsulfanyl-ethoxy-propylsulfanyl-sulfanylidene-λ5-phosphane (CID 57162728) is (2,6-diethoxypyrimidin-4-yl)methylsulfanyl-ethoxy-propylsulfanyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for (2,6-diethoxypyrimidin-4-yl)methylsulfanyl-ethoxy-propylsulfanyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for (2,6-diethoxypyrimidin-4-yl)methylsulfanyl-ethoxy-propylsulfanyl-sulfanylidene-λ5-phosphane is CCCSP(=S)(OCC)SCc1cc(OCC)nc(OCC)n1.
What is the InChIKey of (2,6-diethoxypyrimidin-4-yl)methylsulfanyl-ethoxy-propylsulfanyl-sulfanylidene-λ5-phosphane?
The InChIKey is HNJUSDLVWBBSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N2O3PS3/c1-5-9-22-20(21,19-8-4)23-11-12-10-13(17-6-2)16-14(15-12)18-7-3/h10H,5-9,11H2,1-4H3.
What are the key properties of (2,6-diethoxypyrimidin-4-yl)methylsulfanyl-ethoxy-propylsulfanyl-sulfanylidene-λ5-phosphane?
(2,6-diethoxypyrimidin-4-yl)methylsulfanyl-ethoxy-propylsulfanyl-sulfanylidene-λ5-phosphane has a molecular weight of 396.54 g/mol, XLogP of 4.91, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-diethoxypyrimidin-4-yl)methylsulfanyl-ethoxy-propylsulfanyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 57162728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).