[1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]cyclopentyl]phosphonic acid

C12H19N2O6P — CID 46231729

IUPAC[1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]cyclopentyl]phosphonic acid
SMILESCc1cn(CCOC2(P(=O)(O)O)CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C12H19N2O6P/c1-9-8-14(11(16)13-10(9)15)6-7-20-12(21(17,18)19)4-2-3-5-12/h8H,2-7H2,1H3,(H,13,15,16)(H2,17,18,19)
InChIKeyADHNZEZJZJEWQG-UHFFFAOYSA-N
MW318.27 g/mol
LogP0.31
Rot. Bonds5

About [1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]cyclopentyl]phosphonic acid

[1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]cyclopentyl]phosphonic acid (PubChem CID 46231729) has the molecular formula C12H19N2O6P and a molecular weight of 318.27 g/mol. Its IUPAC name is [1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]cyclopentyl]phosphonic acid.

Molecular Properties

Compound Name[1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]cyclopentyl]phosphonic acid
PubChem CID46231729
Molecular FormulaC12H19N2O6P
Molecular Weight318.27 g/mol
Exact Mass318.10
IUPAC Name[1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]cyclopentyl]phosphonic acid
SMILESCc1cn(CCOC2(P(=O)(O)O)CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C12H19N2O6P/c1-9-8-14(11(16)13-10(9)15)6-7-20-12(21(17,18)19)4-2-3-5-12/h8H,2-7H2,1H3,(H,13,15,16)(H2,17,18,19)
InChIKeyADHNZEZJZJEWQG-UHFFFAOYSA-N
XLogP0.31
TPSA121.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.27
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]cyclopentyl]phosphonic acid 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

[1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]cyclohexyl]phosphonic acid
CID 46231728
1-[3-(1-hydroxycyclopropyl)propyl]-5-methylpyrimidine-2,4-dione
CID 10585230
1-(2-ethenoxyethyl)-5-methylpyrimidine-2,4-dione
CID 71327942
[2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]aziridin-1-yl]methylphosphonic acid
CID 501412
5-methyl-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione
CID 20727875
1-[2-(4-methoxyphenoxy)ethyl]-5-methylpyrimidine-2,4-dione
CID 60734792
1-[(2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl]-5-methylpyrimidine-2,4-dione
CID 24752409
decyl 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate
CID 101049324
1-(5-chloropentyl)-5-methylpyrimidine-2,4-dione
CID 59337581
[2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]-3-(phosphonomethoxy)propoxy]methylphosphonic acid
CID 23628543
5-methyl-1-undec-10-enylpyrimidine-2,4-dione
CID 102262411
5-methyl-1-[4-(2-methylprop-2-enoxy)butyl]pyrimidine-2,4-dione
CID 118938736

Frequently Asked Questions

What is the IUPAC name of [1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]cyclopentyl]phosphonic acid?
The IUPAC name of [1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]cyclopentyl]phosphonic acid (CID 46231729) is [1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]cyclopentyl]phosphonic acid.
What is the SMILES notation for [1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]cyclopentyl]phosphonic acid?
The canonical SMILES for [1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]cyclopentyl]phosphonic acid is Cc1cn(CCOC2(P(=O)(O)O)CCCC2)c(=O)[nH]c1=O.
What is the InChIKey of [1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]cyclopentyl]phosphonic acid?
The InChIKey is ADHNZEZJZJEWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N2O6P/c1-9-8-14(11(16)13-10(9)15)6-7-20-12(21(17,18)19)4-2-3-5-12/h8H,2-7H2,1H3,(H,13,15,16)(H2,17,18,19).
What are the key properties of [1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]cyclopentyl]phosphonic acid?
[1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]cyclopentyl]phosphonic acid has a molecular weight of 318.27 g/mol, XLogP of 0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]cyclopentyl]phosphonic acid is sourced from PubChem (CID 46231729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).