4-[[ethoxy(propylsulfanyl)phosphinothioyl]oxymethyl]-N,N-diethyl-6-methylpyrimidin-2-amine

C15H28N3O2PS2 — CID 88727346

IUPAC4-[[ethoxy(propylsulfanyl)phosphinothioyl]oxymethyl]-N,N-diethyl-6-methylpyrimidin-2-amine
SMILESCCCS[P@@](=S)(OCC)OCc1cc(C)nc(N(CC)CC)n1
InChIInChI=1S/C15H28N3O2PS2/c1-6-10-23-21(22,19-9-4)20-12-14-11-13(5)16-15(17-14)18(7-2)8-3/h11H,6-10,12H2,1-5H3/t21-/m0/s1
InChIKeyUVKMJKMGENIZJL-NRFANRHFSA-N
MW377.52 g/mol
LogP4.55
Rot. Bonds11

About 4-[[ethoxy(propylsulfanyl)phosphinothioyl]oxymethyl]-N,N-diethyl-6-methylpyrimidin-2-amine

4-[[ethoxy(propylsulfanyl)phosphinothioyl]oxymethyl]-N,N-diethyl-6-methylpyrimidin-2-amine (PubChem CID 88727346) has the molecular formula C15H28N3O2PS2 and a molecular weight of 377.52 g/mol. Its IUPAC name is 4-[[ethoxy(propylsulfanyl)phosphinothioyl]oxymethyl]-N,N-diethyl-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[[ethoxy(propylsulfanyl)phosphinothioyl]oxymethyl]-N,N-diethyl-6-methylpyrimidin-2-amine
PubChem CID88727346
Molecular FormulaC15H28N3O2PS2
Molecular Weight377.52 g/mol
Exact Mass377.14
IUPAC Name4-[[ethoxy(propylsulfanyl)phosphinothioyl]oxymethyl]-N,N-diethyl-6-methylpyrimidin-2-amine
SMILESCCCS[P@@](=S)(OCC)OCc1cc(C)nc(N(CC)CC)n1
InChIInChI=1S/C15H28N3O2PS2/c1-6-10-23-21(22,19-9-4)20-12-14-11-13(5)16-15(17-14)18(7-2)8-3/h11H,6-10,12H2,1-5H3/t21-/m0/s1
InChIKeyUVKMJKMGENIZJL-NRFANRHFSA-N
XLogP4.55
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.52
LogP ≤ 54.55
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(propylsulfanyl)phosphinothioyl]oxymethyl]-N,N-diethyl-6-methylpyrimidin-2-amine?
The IUPAC name of 4-[[ethoxy(propylsulfanyl)phosphinothioyl]oxymethyl]-N,N-diethyl-6-methylpyrimidin-2-amine (CID 88727346) is 4-[[ethoxy(propylsulfanyl)phosphinothioyl]oxymethyl]-N,N-diethyl-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[[ethoxy(propylsulfanyl)phosphinothioyl]oxymethyl]-N,N-diethyl-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-[[ethoxy(propylsulfanyl)phosphinothioyl]oxymethyl]-N,N-diethyl-6-methylpyrimidin-2-amine is CCCS[P@@](=S)(OCC)OCc1cc(C)nc(N(CC)CC)n1.
What is the InChIKey of 4-[[ethoxy(propylsulfanyl)phosphinothioyl]oxymethyl]-N,N-diethyl-6-methylpyrimidin-2-amine?
The InChIKey is UVKMJKMGENIZJL-NRFANRHFSA-N. The full InChI is InChI=1S/C15H28N3O2PS2/c1-6-10-23-21(22,19-9-4)20-12-14-11-13(5)16-15(17-14)18(7-2)8-3/h11H,6-10,12H2,1-5H3/t21-/m0/s1.
What are the key properties of 4-[[ethoxy(propylsulfanyl)phosphinothioyl]oxymethyl]-N,N-diethyl-6-methylpyrimidin-2-amine?
4-[[ethoxy(propylsulfanyl)phosphinothioyl]oxymethyl]-N,N-diethyl-6-methylpyrimidin-2-amine has a molecular weight of 377.52 g/mol, XLogP of 4.55, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethoxy(propylsulfanyl)phosphinothioyl]oxymethyl]-N,N-diethyl-6-methylpyrimidin-2-amine is sourced from PubChem (CID 88727346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).