5-(diethoxyphosphorylmethyl)-1H-pyrimidine-2,4-dione

C9H15N2O5P — CID 10515594

IUPAC5-(diethoxyphosphorylmethyl)-1H-pyrimidine-2,4-dione
SMILESCCOP(=O)(Cc1c[nH]c(=O)[nH]c1=O)OCC
InChIInChI=1S/C9H15N2O5P/c1-3-15-17(14,16-4-2)6-7-5-10-9(13)11-8(7)12/h5H,3-4,6H2,1-2H3,(H2,10,11,12,13)
InChIKeyAZZPOSXNXYUQKP-UHFFFAOYSA-N
MW262.20 g/mol
LogP0.83
Rot. Bonds6

About 5-(diethoxyphosphorylmethyl)-1H-pyrimidine-2,4-dione

5-(diethoxyphosphorylmethyl)-1H-pyrimidine-2,4-dione (PubChem CID 10515594) has the molecular formula C9H15N2O5P and a molecular weight of 262.20 g/mol. Its IUPAC name is 5-(diethoxyphosphorylmethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(diethoxyphosphorylmethyl)-1H-pyrimidine-2,4-dione
PubChem CID10515594
Molecular FormulaC9H15N2O5P
Molecular Weight262.20 g/mol
Exact Mass262.07
IUPAC Name5-(diethoxyphosphorylmethyl)-1H-pyrimidine-2,4-dione
SMILESCCOP(=O)(Cc1c[nH]c(=O)[nH]c1=O)OCC
InChIInChI=1S/C9H15N2O5P/c1-3-15-17(14,16-4-2)6-7-5-10-9(13)11-8(7)12/h5H,3-4,6H2,1-2H3,(H2,10,11,12,13)
InChIKeyAZZPOSXNXYUQKP-UHFFFAOYSA-N
XLogP0.83
TPSA101.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.20
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(diethoxyphosphorylmethyl)-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 158810794
CID 158810794
bis(5-(hydroxymethyl)-1H-pyrimidine-2,4-dione);hydrate
CID 70550921
5-(octoxymethyl)-1H-pyrimidine-2,4-dione
CID 15334165
4,5-bis(diethoxyphosphorylmethyl)benzene-1,2-dicarbonitrile
CID 135072070
3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methoxypropanoic acid
CID 130387264
S-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl] ethanethioate
CID 91621964
2-(diethoxyphosphorylmethyl)-1,3,5-trimethylbenzene
CID 10400928
2-(diethoxyphosphorylmethyl)-3H-quinazolin-4-one
CID 167876412
7-[[3-[ethoxy(21-hydroxyhenicosoxy)phosphoryl]propylamino]methyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione
CID 89179973
6,7,15,16,24,25,33,34-octakis(diethoxyphosphorylmethyl)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene
CID 137282642
5-[[2-chloroethyl(methyl)amino]methyl]-1H-pyrimidine-2,4-dione
CID 118888029
5-but-3-enyl-1H-pyrimidine-2,4-dione
CID 175908088

Frequently Asked Questions

What is the IUPAC name of 5-(diethoxyphosphorylmethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(diethoxyphosphorylmethyl)-1H-pyrimidine-2,4-dione (CID 10515594) is 5-(diethoxyphosphorylmethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(diethoxyphosphorylmethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(diethoxyphosphorylmethyl)-1H-pyrimidine-2,4-dione is CCOP(=O)(Cc1c[nH]c(=O)[nH]c1=O)OCC.
What is the InChIKey of 5-(diethoxyphosphorylmethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is AZZPOSXNXYUQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N2O5P/c1-3-15-17(14,16-4-2)6-7-5-10-9(13)11-8(7)12/h5H,3-4,6H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 5-(diethoxyphosphorylmethyl)-1H-pyrimidine-2,4-dione?
5-(diethoxyphosphorylmethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 262.20 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethoxyphosphorylmethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 10515594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).