5-fluoro-N-[(2-methoxycyclohexyl)methyl]-2,4-dioxopyrimidine-1-carboxamide

C13H18FN3O4 — CID 10590250

IUPAC5-fluoro-N-[(2-methoxycyclohexyl)methyl]-2,4-dioxopyrimidine-1-carboxamide
SMILESCOC1CCCCC1CNC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C13H18FN3O4/c1-21-10-5-3-2-4-8(10)6-15-12(19)17-7-9(14)11(18)16-13(17)20/h7-8,10H,2-6H2,1H3,(H,15,19)(H,16,18,20)
InChIKeyQJOXEUPVTUFZSM-UHFFFAOYSA-N
MW299.30 g/mol
LogP0.44
Rot. Bonds3

About 5-fluoro-N-[(2-methoxycyclohexyl)methyl]-2,4-dioxopyrimidine-1-carboxamide

5-fluoro-N-[(2-methoxycyclohexyl)methyl]-2,4-dioxopyrimidine-1-carboxamide (PubChem CID 10590250) has the molecular formula C13H18FN3O4 and a molecular weight of 299.30 g/mol. Its IUPAC name is 5-fluoro-N-[(2-methoxycyclohexyl)methyl]-2,4-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[(2-methoxycyclohexyl)methyl]-2,4-dioxopyrimidine-1-carboxamide
PubChem CID10590250
Molecular FormulaC13H18FN3O4
Molecular Weight299.30 g/mol
Exact Mass299.13
IUPAC Name5-fluoro-N-[(2-methoxycyclohexyl)methyl]-2,4-dioxopyrimidine-1-carboxamide
SMILESCOC1CCCCC1CNC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C13H18FN3O4/c1-21-10-5-3-2-4-8(10)6-15-12(19)17-7-9(14)11(18)16-13(17)20/h7-8,10H,2-6H2,1H3,(H,15,19)(H,16,18,20)
InChIKeyQJOXEUPVTUFZSM-UHFFFAOYSA-N
XLogP0.44
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(2-methoxycyclohexyl)methyl]-2,4-dioxopyrimidine-1-carboxamide?
The IUPAC name of 5-fluoro-N-[(2-methoxycyclohexyl)methyl]-2,4-dioxopyrimidine-1-carboxamide (CID 10590250) is 5-fluoro-N-[(2-methoxycyclohexyl)methyl]-2,4-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for 5-fluoro-N-[(2-methoxycyclohexyl)methyl]-2,4-dioxopyrimidine-1-carboxamide?
The canonical SMILES for 5-fluoro-N-[(2-methoxycyclohexyl)methyl]-2,4-dioxopyrimidine-1-carboxamide is COC1CCCCC1CNC(=O)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-N-[(2-methoxycyclohexyl)methyl]-2,4-dioxopyrimidine-1-carboxamide?
The InChIKey is QJOXEUPVTUFZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O4/c1-21-10-5-3-2-4-8(10)6-15-12(19)17-7-9(14)11(18)16-13(17)20/h7-8,10H,2-6H2,1H3,(H,15,19)(H,16,18,20).
What are the key properties of 5-fluoro-N-[(2-methoxycyclohexyl)methyl]-2,4-dioxopyrimidine-1-carboxamide?
5-fluoro-N-[(2-methoxycyclohexyl)methyl]-2,4-dioxopyrimidine-1-carboxamide has a molecular weight of 299.30 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(2-methoxycyclohexyl)methyl]-2,4-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 10590250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).