2-(4-diethoxyphosphoryl-2-methylphenyl)-5-methylpyrimidine

C16H21N2O3P — CID 88769207

IUPAC2-(4-diethoxyphosphoryl-2-methylphenyl)-5-methylpyrimidine
SMILESCCOP(=O)(OCC)c1ccc(-c2ncc(C)cn2)c(C)c1
InChIInChI=1S/C16H21N2O3P/c1-5-20-22(19,21-6-2)14-7-8-15(13(4)9-14)16-17-10-12(3)11-18-16/h7-11H,5-6H2,1-4H3
InChIKeyKHVHDZPGRRMJMQ-UHFFFAOYSA-N
MW320.33 g/mol
LogP3.65
Rot. Bonds6

About 2-(4-diethoxyphosphoryl-2-methylphenyl)-5-methylpyrimidine

2-(4-diethoxyphosphoryl-2-methylphenyl)-5-methylpyrimidine (PubChem CID 88769207) has the molecular formula C16H21N2O3P and a molecular weight of 320.33 g/mol. Its IUPAC name is 2-(4-diethoxyphosphoryl-2-methylphenyl)-5-methylpyrimidine.

Molecular Properties

Compound Name2-(4-diethoxyphosphoryl-2-methylphenyl)-5-methylpyrimidine
PubChem CID88769207
Molecular FormulaC16H21N2O3P
Molecular Weight320.33 g/mol
Exact Mass320.13
IUPAC Name2-(4-diethoxyphosphoryl-2-methylphenyl)-5-methylpyrimidine
SMILESCCOP(=O)(OCC)c1ccc(-c2ncc(C)cn2)c(C)c1
InChIInChI=1S/C16H21N2O3P/c1-5-20-22(19,21-6-2)14-7-8-15(13(4)9-14)16-17-10-12(3)11-18-16/h7-11H,5-6H2,1-4H3
InChIKeyKHVHDZPGRRMJMQ-UHFFFAOYSA-N
XLogP3.65
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-diethoxyphosphoryl-1,2-dimethylbenzene
CID 10966692
2-(4-diethoxyphosphoryl-2-methylphenyl)-1,3-benzoxazole
CID 154174196
5-diethoxyphosphoryl-2-(5-diethoxyphosphoryl-2-pyridinyl)pyridine
CID 53249416
2-(4-diethoxyphosphorylphenyl)-4-methylpyridine
CID 138627774
ethyl 2-(4-chloro-2-methylphenyl)pyrimidine-5-carboxylate
CID 174521887
1-bromo-2-chloro-4-diethoxyphosphorylbenzene
CID 166609988
6-diethoxyphosphorylnaphthalen-2-ol
CID 10492986
tris(4-diethoxyphosphorylphenyl)phosphane
CID 10675951
1-diethoxyphosphoryl-3-iodobenzene
CID 18374549
1-[ethoxy-(4-methylphenyl)phosphoryl]-4-methylbenzene
CID 15616106
1-diethoxyphosphoryl-4-phenylbenzene
CID 12670613
2-tert-butyl-4-diethoxyphosphoryl-6-methylphenol
CID 2385006

Frequently Asked Questions

What is the IUPAC name of 2-(4-diethoxyphosphoryl-2-methylphenyl)-5-methylpyrimidine?
The IUPAC name of 2-(4-diethoxyphosphoryl-2-methylphenyl)-5-methylpyrimidine (CID 88769207) is 2-(4-diethoxyphosphoryl-2-methylphenyl)-5-methylpyrimidine.
What is the SMILES notation for 2-(4-diethoxyphosphoryl-2-methylphenyl)-5-methylpyrimidine?
The canonical SMILES for 2-(4-diethoxyphosphoryl-2-methylphenyl)-5-methylpyrimidine is CCOP(=O)(OCC)c1ccc(-c2ncc(C)cn2)c(C)c1.
What is the InChIKey of 2-(4-diethoxyphosphoryl-2-methylphenyl)-5-methylpyrimidine?
The InChIKey is KHVHDZPGRRMJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N2O3P/c1-5-20-22(19,21-6-2)14-7-8-15(13(4)9-14)16-17-10-12(3)11-18-16/h7-11H,5-6H2,1-4H3.
What are the key properties of 2-(4-diethoxyphosphoryl-2-methylphenyl)-5-methylpyrimidine?
2-(4-diethoxyphosphoryl-2-methylphenyl)-5-methylpyrimidine has a molecular weight of 320.33 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-diethoxyphosphoryl-2-methylphenyl)-5-methylpyrimidine is sourced from PubChem (CID 88769207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).