2,4-diethoxy-6-[[methoxy(propylsulfanyl)phosphoryl]sulfanylmethyl]pyrimidine

C13H23N2O4PS2 — CID 23324668

IUPAC2,4-diethoxy-6-[[methoxy(propylsulfanyl)phosphoryl]sulfanylmethyl]pyrimidine
SMILESCCCSP(=O)(OC)SCc1cc(OCC)nc(OCC)n1
InChIInChI=1S/C13H23N2O4PS2/c1-5-8-21-20(16,17-4)22-10-11-9-12(18-6-2)15-13(14-11)19-7-3/h9H,5-8,10H2,1-4H3
InChIKeyNQWOKLHQUGYHEO-UHFFFAOYSA-N
MW366.45 g/mol
LogP4.40
Rot. Bonds11

About 2,4-diethoxy-6-[[methoxy(propylsulfanyl)phosphoryl]sulfanylmethyl]pyrimidine

2,4-diethoxy-6-[[methoxy(propylsulfanyl)phosphoryl]sulfanylmethyl]pyrimidine (PubChem CID 23324668) has the molecular formula C13H23N2O4PS2 and a molecular weight of 366.45 g/mol. Its IUPAC name is 2,4-diethoxy-6-[[methoxy(propylsulfanyl)phosphoryl]sulfanylmethyl]pyrimidine.

Molecular Properties

Compound Name2,4-diethoxy-6-[[methoxy(propylsulfanyl)phosphoryl]sulfanylmethyl]pyrimidine
PubChem CID23324668
Molecular FormulaC13H23N2O4PS2
Molecular Weight366.45 g/mol
Exact Mass366.08
IUPAC Name2,4-diethoxy-6-[[methoxy(propylsulfanyl)phosphoryl]sulfanylmethyl]pyrimidine
SMILESCCCSP(=O)(OC)SCc1cc(OCC)nc(OCC)n1
InChIInChI=1S/C13H23N2O4PS2/c1-5-8-21-20(16,17-4)22-10-11-9-12(18-6-2)15-13(14-11)19-7-3/h9H,5-8,10H2,1-4H3
InChIKeyNQWOKLHQUGYHEO-UHFFFAOYSA-N
XLogP4.40
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 54.40
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 2,4-diethoxy-6-[[methoxy(propylsulfanyl)phosphoryl]sulfanylmethyl]pyrimidine?
The IUPAC name of 2,4-diethoxy-6-[[methoxy(propylsulfanyl)phosphoryl]sulfanylmethyl]pyrimidine (CID 23324668) is 2,4-diethoxy-6-[[methoxy(propylsulfanyl)phosphoryl]sulfanylmethyl]pyrimidine.
What is the SMILES notation for 2,4-diethoxy-6-[[methoxy(propylsulfanyl)phosphoryl]sulfanylmethyl]pyrimidine?
The canonical SMILES for 2,4-diethoxy-6-[[methoxy(propylsulfanyl)phosphoryl]sulfanylmethyl]pyrimidine is CCCSP(=O)(OC)SCc1cc(OCC)nc(OCC)n1.
What is the InChIKey of 2,4-diethoxy-6-[[methoxy(propylsulfanyl)phosphoryl]sulfanylmethyl]pyrimidine?
The InChIKey is NQWOKLHQUGYHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N2O4PS2/c1-5-8-21-20(16,17-4)22-10-11-9-12(18-6-2)15-13(14-11)19-7-3/h9H,5-8,10H2,1-4H3.
What are the key properties of 2,4-diethoxy-6-[[methoxy(propylsulfanyl)phosphoryl]sulfanylmethyl]pyrimidine?
2,4-diethoxy-6-[[methoxy(propylsulfanyl)phosphoryl]sulfanylmethyl]pyrimidine has a molecular weight of 366.45 g/mol, XLogP of 4.40, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethoxy-6-[[methoxy(propylsulfanyl)phosphoryl]sulfanylmethyl]pyrimidine is sourced from PubChem (CID 23324668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).