1-(3-fluoropropyl)-5-methylpyrimidine-2,4-dione;methoxymethylphosphonous acid

C10H18FN2O5P — CID 142308782

IUPAC1-(3-fluoropropyl)-5-methylpyrimidine-2,4-dione;methoxymethylphosphonous acid
SMILESCOCP(O)O.Cc1cn(CCCF)c(=O)[nH]c1=O
InChIInChI=1S/C8H11FN2O2.C2H7O3P/c1-6-5-11(4-2-3-9)8(13)10-7(6)12;1-5-2-6(3)4/h5H,2-4H2,1H3,(H,10,12,13);3-4H,2H2,1H3
InChIKeyVBNNVAOYUPYZPU-UHFFFAOYSA-N
MW296.24 g/mol
LogP0.09
Rot. Bonds5

About 1-(3-fluoropropyl)-5-methylpyrimidine-2,4-dione;methoxymethylphosphonous acid

1-(3-fluoropropyl)-5-methylpyrimidine-2,4-dione;methoxymethylphosphonous acid (PubChem CID 142308782) has the molecular formula C10H18FN2O5P and a molecular weight of 296.24 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-5-methylpyrimidine-2,4-dione;methoxymethylphosphonous acid.

Molecular Properties

Compound Name1-(3-fluoropropyl)-5-methylpyrimidine-2,4-dione;methoxymethylphosphonous acid
PubChem CID142308782
Molecular FormulaC10H18FN2O5P
Molecular Weight296.24 g/mol
Exact Mass296.09
IUPAC Name1-(3-fluoropropyl)-5-methylpyrimidine-2,4-dione;methoxymethylphosphonous acid
SMILESCOCP(O)O.Cc1cn(CCCF)c(=O)[nH]c1=O
InChIInChI=1S/C8H11FN2O2.C2H7O3P/c1-6-5-11(4-2-3-9)8(13)10-7(6)12;1-5-2-6(3)4/h5H,2-4H2,1H3,(H,10,12,13);3-4H,2H2,1H3
InChIKeyVBNNVAOYUPYZPU-UHFFFAOYSA-N
XLogP0.09
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.24
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloropentyl)-5-methylpyrimidine-2,4-dione
CID 59337581
5-chloro-1-(3-fluoropropyl)pyrimidine-2,4-dione
CID 81113908
1-[3-(1-hydroxycyclopropyl)propyl]-5-methylpyrimidine-2,4-dione
CID 10585230
5-methyl-1-undec-10-enylpyrimidine-2,4-dione
CID 102262411
5-methyl-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione
CID 20727875
1-(2-ethenoxyethyl)-5-methylpyrimidine-2,4-dione
CID 71327942
5-methyl-1-[4-(2-methylprop-2-enoxy)butyl]pyrimidine-2,4-dione
CID 118938736
methyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
CID 3757668
1-[(2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl]-5-methylpyrimidine-2,4-dione
CID 24752409
1-[(E)-5-fluoro-3-(hydroxymethyl)pent-2-enyl]-5-methylpyrimidine-2,4-dione
CID 70964470
potassium trifluoro-[3-(5-methyl-2,4-dioxopyrimidin-1-yl)prop-1-en-2-yl]boranuide
CID 106746423
1-[2-(4-methoxyphenoxy)ethyl]-5-methylpyrimidine-2,4-dione
CID 60734792

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-5-methylpyrimidine-2,4-dione;methoxymethylphosphonous acid?
The IUPAC name of 1-(3-fluoropropyl)-5-methylpyrimidine-2,4-dione;methoxymethylphosphonous acid (CID 142308782) is 1-(3-fluoropropyl)-5-methylpyrimidine-2,4-dione;methoxymethylphosphonous acid.
What is the SMILES notation for 1-(3-fluoropropyl)-5-methylpyrimidine-2,4-dione;methoxymethylphosphonous acid?
The canonical SMILES for 1-(3-fluoropropyl)-5-methylpyrimidine-2,4-dione;methoxymethylphosphonous acid is COCP(O)O.Cc1cn(CCCF)c(=O)[nH]c1=O.
What is the InChIKey of 1-(3-fluoropropyl)-5-methylpyrimidine-2,4-dione;methoxymethylphosphonous acid?
The InChIKey is VBNNVAOYUPYZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O2.C2H7O3P/c1-6-5-11(4-2-3-9)8(13)10-7(6)12;1-5-2-6(3)4/h5H,2-4H2,1H3,(H,10,12,13);3-4H,2H2,1H3.
What are the key properties of 1-(3-fluoropropyl)-5-methylpyrimidine-2,4-dione;methoxymethylphosphonous acid?
1-(3-fluoropropyl)-5-methylpyrimidine-2,4-dione;methoxymethylphosphonous acid has a molecular weight of 296.24 g/mol, XLogP of 0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-5-methylpyrimidine-2,4-dione;methoxymethylphosphonous acid is sourced from PubChem (CID 142308782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).