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

C10H15N2O6P — CID 5270771

IUPAC[1-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]cyclopropyl]oxymethylphosphonic acid
SMILESCc1cn(CC2(OCP(=O)(O)O)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C10H15N2O6P/c1-7-4-12(9(14)11-8(7)13)5-10(2-3-10)18-6-19(15,16)17/h4H,2-3,5-6H2,1H3,(H,11,13,14)(H2,15,16,17)
InChIKeyCCADTCDFWSSIAM-UHFFFAOYSA-N
MW290.21 g/mol
LogP-0.47
Rot. Bonds5

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

[1-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]cyclopropyl]oxymethylphosphonic acid (PubChem CID 5270771) has the molecular formula C10H15N2O6P and a molecular weight of 290.21 g/mol. Its IUPAC name is [1-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]cyclopropyl]oxymethylphosphonic acid.

Molecular Properties

Compound Name[1-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]cyclopropyl]oxymethylphosphonic acid
PubChem CID5270771
Molecular FormulaC10H15N2O6P
Molecular Weight290.21 g/mol
Exact Mass290.07
IUPAC Name[1-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]cyclopropyl]oxymethylphosphonic acid
SMILESCc1cn(CC2(OCP(=O)(O)O)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C10H15N2O6P/c1-7-4-12(9(14)11-8(7)13)5-10(2-3-10)18-6-19(15,16)17/h4H,2-3,5-6H2,1H3,(H,11,13,14)(H2,15,16,17)
InChIKeyCCADTCDFWSSIAM-UHFFFAOYSA-N
XLogP-0.47
TPSA121.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.21
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [1-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]cyclopropyl]oxymethylphosphonic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]cyclopropyl]oxymethylphosphonic acid?
The IUPAC name of [1-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]cyclopropyl]oxymethylphosphonic acid (CID 5270771) is [1-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]cyclopropyl]oxymethylphosphonic acid.
What is the SMILES notation for [1-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]cyclopropyl]oxymethylphosphonic acid?
The canonical SMILES for [1-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]cyclopropyl]oxymethylphosphonic acid is Cc1cn(CC2(OCP(=O)(O)O)CC2)c(=O)[nH]c1=O.
What is the InChIKey of [1-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]cyclopropyl]oxymethylphosphonic acid?
The InChIKey is CCADTCDFWSSIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N2O6P/c1-7-4-12(9(14)11-8(7)13)5-10(2-3-10)18-6-19(15,16)17/h4H,2-3,5-6H2,1H3,(H,11,13,14)(H2,15,16,17).
What are the key properties of [1-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]cyclopropyl]oxymethylphosphonic acid?
[1-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]cyclopropyl]oxymethylphosphonic acid has a molecular weight of 290.21 g/mol, XLogP of -0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]cyclopropyl]oxymethylphosphonic acid is sourced from PubChem (CID 5270771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).