2-methylpropyl 5-fluoro-2,4-dioxopyrimidine-1-carboxylate

C9H11FN2O4 — CID 13061636

IUPAC2-methylpropyl 5-fluoro-2,4-dioxopyrimidine-1-carboxylate
SMILESCC(C)COC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H11FN2O4/c1-5(2)4-16-9(15)12-3-6(10)7(13)11-8(12)14/h3,5H,4H2,1-2H3,(H,11,13,14)
InChIKeyDXDPKLIQOAVOAM-UHFFFAOYSA-N
MW230.19 g/mol
LogP0.32
Rot. Bonds2

About 2-methylpropyl 5-fluoro-2,4-dioxopyrimidine-1-carboxylate

2-methylpropyl 5-fluoro-2,4-dioxopyrimidine-1-carboxylate (PubChem CID 13061636) has the molecular formula C9H11FN2O4 and a molecular weight of 230.19 g/mol. Its IUPAC name is 2-methylpropyl 5-fluoro-2,4-dioxopyrimidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 5-fluoro-2,4-dioxopyrimidine-1-carboxylate
PubChem CID13061636
Molecular FormulaC9H11FN2O4
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC Name2-methylpropyl 5-fluoro-2,4-dioxopyrimidine-1-carboxylate
SMILESCC(C)COC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H11FN2O4/c1-5(2)4-16-9(15)12-3-6(10)7(13)11-8(12)14/h3,5H,4H2,1-2H3,(H,11,13,14)
InChIKeyDXDPKLIQOAVOAM-UHFFFAOYSA-N
XLogP0.32
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methylpropyl 5-fluoro-2,4-dioxopyrimidine-1-carboxylate 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 2-methylpropyl 5-fluoro-2,4-dioxopyrimidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 5-fluoro-2,4-dioxopyrimidine-1-carboxylate (CID 13061636) is 2-methylpropyl 5-fluoro-2,4-dioxopyrimidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 5-fluoro-2,4-dioxopyrimidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 5-fluoro-2,4-dioxopyrimidine-1-carboxylate is CC(C)COC(=O)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 2-methylpropyl 5-fluoro-2,4-dioxopyrimidine-1-carboxylate?
The InChIKey is DXDPKLIQOAVOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O4/c1-5(2)4-16-9(15)12-3-6(10)7(13)11-8(12)14/h3,5H,4H2,1-2H3,(H,11,13,14).
What are the key properties of 2-methylpropyl 5-fluoro-2,4-dioxopyrimidine-1-carboxylate?
2-methylpropyl 5-fluoro-2,4-dioxopyrimidine-1-carboxylate has a molecular weight of 230.19 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 5-fluoro-2,4-dioxopyrimidine-1-carboxylate is sourced from PubChem (CID 13061636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).