[(2R)-1-(5-methyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxymethylphosphonic acid

C9H15N2O6P — CID 11659295

IUPAC[(2R)-1-(5-methyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxymethylphosphonic acid
SMILESCc1cn(C[C@@H](C)OCP(=O)(O)O)c(=O)[nH]c1=O
InChIInChI=1S/C9H15N2O6P/c1-6-3-11(9(13)10-8(6)12)4-7(2)17-5-18(14,15)16/h3,7H,4-5H2,1-2H3,(H,10,12,13)(H2,14,15,16)/t7-/m1/s1
InChIKeyXIZPVMOLDUEBMU-SSDOTTSWSA-N
MW278.20 g/mol
LogP-0.61
Rot. Bonds5

About [(2R)-1-(5-methyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxymethylphosphonic acid

[(2R)-1-(5-methyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxymethylphosphonic acid (PubChem CID 11659295) has the molecular formula C9H15N2O6P and a molecular weight of 278.20 g/mol. Its IUPAC name is [(2R)-1-(5-methyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxymethylphosphonic acid.

Molecular Properties

Compound Name[(2R)-1-(5-methyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxymethylphosphonic acid
PubChem CID11659295
Molecular FormulaC9H15N2O6P
Molecular Weight278.20 g/mol
Exact Mass278.07
IUPAC Name[(2R)-1-(5-methyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxymethylphosphonic acid
SMILESCc1cn(C[C@@H](C)OCP(=O)(O)O)c(=O)[nH]c1=O
InChIInChI=1S/C9H15N2O6P/c1-6-3-11(9(13)10-8(6)12)4-7(2)17-5-18(14,15)16/h3,7H,4-5H2,1-2H3,(H,10,12,13)(H2,14,15,16)/t7-/m1/s1
InChIKeyXIZPVMOLDUEBMU-SSDOTTSWSA-N
XLogP-0.61
TPSA121.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.20
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Phosphonic acid, ((2-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)ethoxy)methyl)-
CID 451931
(1-fluoro-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propan-2-yloxy)methylphosphonic acid
CID 46231938
(1-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propan-2-yloxy)methylphosphonic acid
CID 46231939
[1-(Hydroxymethyl)-2-(4-hydroxy-5-methyl-2-oxo-pyrimidin-1-yl)ethoxy]methylphosphonic acid
CID 490681
Phosphonic acid, ((2-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy)methyl)-, (S)-
CID 451932
[(2S)-1-fluoro-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxymethylphosphonic acid
CID 11507634
2-[2-(2,4-Dioxopyrimidin-1-yl)ethoxy]propylphosphonic acid
CID 56663162
[1-[(5-Methyl-2,4-dioxo-pyrimidin-1-yl)methyl]cyclopropoxy]methylphosphonic acid
CID 5270771
4-(5-Methyl-2,4-dioxopyrimidin-1-yl)butoxymethylphosphonic acid
CID 10640578
[(2R)-1-fluoro-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxymethylphosphonic acid
CID 11587603
N-(2-Diphosphorylphosphonylmethoxyethyl)thymine
CID 452204
1-[4-[Di(propan-2-yloxy)phosphorylmethoxy]butyl]-5-methylpyrimidine-2,4-dione
CID 10809518

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(5-methyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxymethylphosphonic acid?
The IUPAC name of [(2R)-1-(5-methyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxymethylphosphonic acid (CID 11659295) is [(2R)-1-(5-methyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxymethylphosphonic acid.
What is the SMILES notation for [(2R)-1-(5-methyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxymethylphosphonic acid?
The canonical SMILES for [(2R)-1-(5-methyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxymethylphosphonic acid is Cc1cn(C[C@@H](C)OCP(=O)(O)O)c(=O)[nH]c1=O.
What is the InChIKey of [(2R)-1-(5-methyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxymethylphosphonic acid?
The InChIKey is XIZPVMOLDUEBMU-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15N2O6P/c1-6-3-11(9(13)10-8(6)12)4-7(2)17-5-18(14,15)16/h3,7H,4-5H2,1-2H3,(H,10,12,13)(H2,14,15,16)/t7-/m1/s1.
What are the key properties of [(2R)-1-(5-methyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxymethylphosphonic acid?
[(2R)-1-(5-methyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxymethylphosphonic acid has a molecular weight of 278.20 g/mol, XLogP of -0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(5-methyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxymethylphosphonic acid is sourced from PubChem (CID 11659295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).