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

C13H18FN3O3 — CID 10636696

IUPACN-(2-cyclohexylethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
SMILESO=C(NCCC1CCCCC1)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C13H18FN3O3/c14-10-8-17(13(20)16-11(10)18)12(19)15-7-6-9-4-2-1-3-5-9/h8-9H,1-7H2,(H,15,19)(H,16,18,20)
InChIKeyUBSRUXSJIPTBNT-UHFFFAOYSA-N
MW283.30 g/mol
LogP1.20
Rot. Bonds3

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

N-(2-cyclohexylethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide (PubChem CID 10636696) has the molecular formula C13H18FN3O3 and a molecular weight of 283.30 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
PubChem CID10636696
Molecular FormulaC13H18FN3O3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC NameN-(2-cyclohexylethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
SMILESO=C(NCCC1CCCCC1)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C13H18FN3O3/c14-10-8-17(13(20)16-11(10)18)12(19)15-7-6-9-4-2-1-3-5-9/h8-9H,1-7H2,(H,15,19)(H,16,18,20)
InChIKeyUBSRUXSJIPTBNT-UHFFFAOYSA-N
XLogP1.20
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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-(2-cyclohexylethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The IUPAC name of N-(2-cyclohexylethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide (CID 10636696) is N-(2-cyclohexylethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for N-(2-cyclohexylethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The canonical SMILES for N-(2-cyclohexylethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide is O=C(NCCC1CCCCC1)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of N-(2-cyclohexylethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The InChIKey is UBSRUXSJIPTBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O3/c14-10-8-17(13(20)16-11(10)18)12(19)15-7-6-9-4-2-1-3-5-9/h8-9H,1-7H2,(H,15,19)(H,16,18,20).
What are the key properties of N-(2-cyclohexylethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
N-(2-cyclohexylethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide has a molecular weight of 283.30 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 10636696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).