ethane;5-fluoro-N-methyl-2,4-dioxopyrimidine-1-carboxamide

C8H12FN3O3 — CID 145209845

IUPACethane;5-fluoro-N-methyl-2,4-dioxopyrimidine-1-carboxamide
SMILESCC.CNC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C6H6FN3O3.C2H6/c1-8-5(12)10-2-3(7)4(11)9-6(10)13;1-2/h2H,1H3,(H,8,12)(H,9,11,13);1-2H3
InChIKeyBQEQELVZAPQDGN-UHFFFAOYSA-N
MW217.20 g/mol
LogP-0.11
Rot. Bonds

About ethane;5-fluoro-N-methyl-2,4-dioxopyrimidine-1-carboxamide

ethane;5-fluoro-N-methyl-2,4-dioxopyrimidine-1-carboxamide (PubChem CID 145209845) has the molecular formula C8H12FN3O3 and a molecular weight of 217.20 g/mol. Its IUPAC name is ethane;5-fluoro-N-methyl-2,4-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound Nameethane;5-fluoro-N-methyl-2,4-dioxopyrimidine-1-carboxamide
PubChem CID145209845
Molecular FormulaC8H12FN3O3
Molecular Weight217.20 g/mol
Exact Mass217.09
IUPAC Nameethane;5-fluoro-N-methyl-2,4-dioxopyrimidine-1-carboxamide
SMILESCC.CNC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C6H6FN3O3.C2H6/c1-8-5(12)10-2-3(7)4(11)9-6(10)13;1-2/h2H,1H3,(H,8,12)(H,9,11,13);1-2H3
InChIKeyBQEQELVZAPQDGN-UHFFFAOYSA-N
XLogP-0.11
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.20
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;5-fluoro-N-methyl-2,4-dioxopyrimidine-1-carboxamide?
The IUPAC name of ethane;5-fluoro-N-methyl-2,4-dioxopyrimidine-1-carboxamide (CID 145209845) is ethane;5-fluoro-N-methyl-2,4-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for ethane;5-fluoro-N-methyl-2,4-dioxopyrimidine-1-carboxamide?
The canonical SMILES for ethane;5-fluoro-N-methyl-2,4-dioxopyrimidine-1-carboxamide is CC.CNC(=O)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of ethane;5-fluoro-N-methyl-2,4-dioxopyrimidine-1-carboxamide?
The InChIKey is BQEQELVZAPQDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FN3O3.C2H6/c1-8-5(12)10-2-3(7)4(11)9-6(10)13;1-2/h2H,1H3,(H,8,12)(H,9,11,13);1-2H3.
What are the key properties of ethane;5-fluoro-N-methyl-2,4-dioxopyrimidine-1-carboxamide?
ethane;5-fluoro-N-methyl-2,4-dioxopyrimidine-1-carboxamide has a molecular weight of 217.20 g/mol, XLogP of -0.11, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-fluoro-N-methyl-2,4-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 145209845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).