1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide

C7H8FN3O3 — CID 68808936

IUPAC1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide
SMILESCn1c(=O)c(C(N)=O)cn(CF)c1=O
InChIInChI=1S/C7H8FN3O3/c1-10-6(13)4(5(9)12)2-11(3-8)7(10)14/h2H,3H2,1H3,(H2,9,12)
InChIKeyAPYMTJDHXGHZLU-UHFFFAOYSA-N
MW201.16 g/mol
LogP-1.43
Rot. Bonds2

About 1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide

1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 68808936) has the molecular formula C7H8FN3O3 and a molecular weight of 201.16 g/mol. Its IUPAC name is 1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide
PubChem CID68808936
Molecular FormulaC7H8FN3O3
Molecular Weight201.16 g/mol
Exact Mass201.05
IUPAC Name1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide
SMILESCn1c(=O)c(C(N)=O)cn(CF)c1=O
InChIInChI=1S/C7H8FN3O3/c1-10-6(13)4(5(9)12)2-11(3-8)7(10)14/h2H,3H2,1H3,(H2,9,12)
InChIKeyAPYMTJDHXGHZLU-UHFFFAOYSA-N
XLogP-1.43
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.16
LogP ≤ 5-1.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide 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-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide?
The IUPAC name of 1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide (CID 68808936) is 1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide.
What is the SMILES notation for 1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide?
The canonical SMILES for 1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide is Cn1c(=O)c(C(N)=O)cn(CF)c1=O.
What is the InChIKey of 1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide?
The InChIKey is APYMTJDHXGHZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN3O3/c1-10-6(13)4(5(9)12)2-11(3-8)7(10)14/h2H,3H2,1H3,(H2,9,12).
What are the key properties of 1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide?
1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 201.16 g/mol, XLogP of -1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 68808936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).