(4,6-dimethylpyrimidin-2-yl) diethyl phosphite

C10H17N2O3P — CID 13498188

IUPAC(4,6-dimethylpyrimidin-2-yl) diethyl phosphite
SMILESCCOP(OCC)Oc1nc(C)cc(C)n1
InChIInChI=1S/C10H17N2O3P/c1-5-13-16(14-6-2)15-10-11-8(3)7-9(4)12-10/h7H,5-6H2,1-4H3
InChIKeyFPHJGNZJRPKGTK-UHFFFAOYSA-N
MW244.23 g/mol
LogP2.77
Rot. Bonds6

About (4,6-dimethylpyrimidin-2-yl) diethyl phosphite

(4,6-dimethylpyrimidin-2-yl) diethyl phosphite (PubChem CID 13498188) has the molecular formula C10H17N2O3P and a molecular weight of 244.23 g/mol. Its IUPAC name is (4,6-dimethylpyrimidin-2-yl) diethyl phosphite.

Molecular Properties

Compound Name(4,6-dimethylpyrimidin-2-yl) diethyl phosphite
PubChem CID13498188
Molecular FormulaC10H17N2O3P
Molecular Weight244.23 g/mol
Exact Mass244.10
IUPAC Name(4,6-dimethylpyrimidin-2-yl) diethyl phosphite
SMILESCCOP(OCC)Oc1nc(C)cc(C)n1
InChIInChI=1S/C10H17N2O3P/c1-5-13-16(14-6-2)15-10-11-8(3)7-9(4)12-10/h7H,5-6H2,1-4H3
InChIKeyFPHJGNZJRPKGTK-UHFFFAOYSA-N
XLogP2.77
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4,6-dimethylpyrimidin-2-yl) diethyl phosphite?
The IUPAC name of (4,6-dimethylpyrimidin-2-yl) diethyl phosphite (CID 13498188) is (4,6-dimethylpyrimidin-2-yl) diethyl phosphite.
What is the SMILES notation for (4,6-dimethylpyrimidin-2-yl) diethyl phosphite?
The canonical SMILES for (4,6-dimethylpyrimidin-2-yl) diethyl phosphite is CCOP(OCC)Oc1nc(C)cc(C)n1.
What is the InChIKey of (4,6-dimethylpyrimidin-2-yl) diethyl phosphite?
The InChIKey is FPHJGNZJRPKGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N2O3P/c1-5-13-16(14-6-2)15-10-11-8(3)7-9(4)12-10/h7H,5-6H2,1-4H3.
What are the key properties of (4,6-dimethylpyrimidin-2-yl) diethyl phosphite?
(4,6-dimethylpyrimidin-2-yl) diethyl phosphite has a molecular weight of 244.23 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethylpyrimidin-2-yl) diethyl phosphite is sourced from PubChem (CID 13498188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).