4-(diethoxyphosphorylmethyl)pyrimidine

C9H15N2O3P — CID 166731479

IUPAC4-(diethoxyphosphorylmethyl)pyrimidine
SMILESCCOP(=O)(Cc1ccncn1)OCC
InChIInChI=1S/C9H15N2O3P/c1-3-13-15(12,14-4-2)7-9-5-6-10-8-11-9/h5-6,8H,3-4,7H2,1-2H3
InChIKeyIDSRBMADLWTBPA-UHFFFAOYSA-N
MW230.20 g/mol
LogP2.24
Rot. Bonds6

About 4-(diethoxyphosphorylmethyl)pyrimidine

4-(diethoxyphosphorylmethyl)pyrimidine (PubChem CID 166731479) has the molecular formula C9H15N2O3P and a molecular weight of 230.20 g/mol. Its IUPAC name is 4-(diethoxyphosphorylmethyl)pyrimidine.

Molecular Properties

Compound Name4-(diethoxyphosphorylmethyl)pyrimidine
PubChem CID166731479
Molecular FormulaC9H15N2O3P
Molecular Weight230.20 g/mol
Exact Mass230.08
IUPAC Name4-(diethoxyphosphorylmethyl)pyrimidine
SMILESCCOP(=O)(Cc1ccncn1)OCC
InChIInChI=1S/C9H15N2O3P/c1-3-13-15(12,14-4-2)7-9-5-6-10-8-11-9/h5-6,8H,3-4,7H2,1-2H3
InChIKeyIDSRBMADLWTBPA-UHFFFAOYSA-N
XLogP2.24
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.20
LogP ≤ 52.24
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

bis(2-(diethoxyphosphorylmethyl)pyridine);platinum(2+);dichloride;hydrate
CID 139065832
4-(diethoxyphosphorylmethyl)-1,3-thiazole
CID 118075361
4-propylpyrimidine
CID 18996562
3-bromo-2-(diethoxyphosphorylmethyl)pyridine
CID 169218685
2-(diethoxyphosphorylmethyl)-5-(2-fluorophenyl)pyridine
CID 59016132
ethane;pyrimidin-4-ylmethanamine
CID 90939628
2-[5-(diethoxyphosphorylmethyl)-2-pyridinyl]-5-[[ethoxy(methyl)phosphoryl]methyl]pyridine
CID 88887046
ethoxy(pyridin-2-ylmethyl)phosphinic acid
CID 86045425
1-[[ethoxy(methoxy)phosphoryl]methyl]-4-pyrimidin-4-ylpyridazin-1-ium
CID 166830163
2-(2-diethoxyphosphorylethyl)pyridine
CID 11128503
4-(diethoxyphosphorylmethyl)-1,3-thiazol-2-amine;methane
CID 159390747
4-(diethoxyphosphorylmethyl)-1-tritylimidazole
CID 2763175

Frequently Asked Questions

What is the IUPAC name of 4-(diethoxyphosphorylmethyl)pyrimidine?
The IUPAC name of 4-(diethoxyphosphorylmethyl)pyrimidine (CID 166731479) is 4-(diethoxyphosphorylmethyl)pyrimidine.
What is the SMILES notation for 4-(diethoxyphosphorylmethyl)pyrimidine?
The canonical SMILES for 4-(diethoxyphosphorylmethyl)pyrimidine is CCOP(=O)(Cc1ccncn1)OCC.
What is the InChIKey of 4-(diethoxyphosphorylmethyl)pyrimidine?
The InChIKey is IDSRBMADLWTBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N2O3P/c1-3-13-15(12,14-4-2)7-9-5-6-10-8-11-9/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 4-(diethoxyphosphorylmethyl)pyrimidine?
4-(diethoxyphosphorylmethyl)pyrimidine has a molecular weight of 230.20 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethoxyphosphorylmethyl)pyrimidine is sourced from PubChem (CID 166731479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).