N-(1-cyclohexylethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide

C13H18FN3O3 — CID 10540930

IUPACN-(1-cyclohexylethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
SMILESCC(NC(=O)n1cc(F)c(=O)[nH]c1=O)C1CCCCC1
InChIInChI=1S/C13H18FN3O3/c1-8(9-5-3-2-4-6-9)15-12(19)17-7-10(14)11(18)16-13(17)20/h7-9H,2-6H2,1H3,(H,15,19)(H,16,18,20)
InChIKeyKHMYXYKNZVIVMD-UHFFFAOYSA-N
MW283.30 g/mol
LogP1.20
Rot. Bonds2

About N-(1-cyclohexylethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide

N-(1-cyclohexylethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide (PubChem CID 10540930) has the molecular formula C13H18FN3O3 and a molecular weight of 283.30 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
PubChem CID10540930
Molecular FormulaC13H18FN3O3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC NameN-(1-cyclohexylethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
SMILESCC(NC(=O)n1cc(F)c(=O)[nH]c1=O)C1CCCCC1
InChIInChI=1S/C13H18FN3O3/c1-8(9-5-3-2-4-6-9)15-12(19)17-7-10(14)11(18)16-13(17)20/h7-9H,2-6H2,1H3,(H,15,19)(H,16,18,20)
InChIKeyKHMYXYKNZVIVMD-UHFFFAOYSA-N
XLogP1.20
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The IUPAC name of N-(1-cyclohexylethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide (CID 10540930) is N-(1-cyclohexylethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for N-(1-cyclohexylethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The canonical SMILES for N-(1-cyclohexylethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide is CC(NC(=O)n1cc(F)c(=O)[nH]c1=O)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The InChIKey is KHMYXYKNZVIVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O3/c1-8(9-5-3-2-4-6-9)15-12(19)17-7-10(14)11(18)16-13(17)20/h7-9H,2-6H2,1H3,(H,15,19)(H,16,18,20).
What are the key properties of N-(1-cyclohexylethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
N-(1-cyclohexylethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide has a molecular weight of 283.30 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 10540930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).