5-fluoro-N-[(3-methoxycyclohexyl)methyl]-2,4-dioxopyrimidine-1-carboxamide

C13H18FN3O4 — CID 10732881

IUPAC5-fluoro-N-[(3-methoxycyclohexyl)methyl]-2,4-dioxopyrimidine-1-carboxamide
SMILESCOC1CCCC(CNC(=O)n2cc(F)c(=O)[nH]c2=O)C1
InChIInChI=1S/C13H18FN3O4/c1-21-9-4-2-3-8(5-9)6-15-12(19)17-7-10(14)11(18)16-13(17)20/h7-9H,2-6H2,1H3,(H,15,19)(H,16,18,20)
InChIKeyMGKLUDFWFYNPDX-UHFFFAOYSA-N
MW299.30 g/mol
LogP0.44
Rot. Bonds3

About 5-fluoro-N-[(3-methoxycyclohexyl)methyl]-2,4-dioxopyrimidine-1-carboxamide

5-fluoro-N-[(3-methoxycyclohexyl)methyl]-2,4-dioxopyrimidine-1-carboxamide (PubChem CID 10732881) has the molecular formula C13H18FN3O4 and a molecular weight of 299.30 g/mol. Its IUPAC name is 5-fluoro-N-[(3-methoxycyclohexyl)methyl]-2,4-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[(3-methoxycyclohexyl)methyl]-2,4-dioxopyrimidine-1-carboxamide
PubChem CID10732881
Molecular FormulaC13H18FN3O4
Molecular Weight299.30 g/mol
Exact Mass299.13
IUPAC Name5-fluoro-N-[(3-methoxycyclohexyl)methyl]-2,4-dioxopyrimidine-1-carboxamide
SMILESCOC1CCCC(CNC(=O)n2cc(F)c(=O)[nH]c2=O)C1
InChIInChI=1S/C13H18FN3O4/c1-21-9-4-2-3-8(5-9)6-15-12(19)17-7-10(14)11(18)16-13(17)20/h7-9H,2-6H2,1H3,(H,15,19)(H,16,18,20)
InChIKeyMGKLUDFWFYNPDX-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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Related Compounds

N-(4-ethoxycyclohexyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
CID 10590249
5-fluoro-N-[(4-methoxycyclohexyl)methyl]-2,4-dioxopyrimidine-1-carboxamide
CID 10614075
N-[(4-ethoxycyclohexyl)methyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
CID 10662980
1-(3, 4-Dimethoxycyclohexylethylcarbamoyl)-5-fluorouracil
CID 10688724
N-[(3,4-dimethoxycyclohexyl)methyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
CID 10853790
N-[1-(3,4-dimethoxycyclohexyl)ethyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
CID 20429438
5-fluoro-N-(4-methoxycyclohexyl)-2,4-dioxopyrimidine-1-carboxamide
CID 9994082
5-fluoro-N-[(2-methoxycyclohexyl)methyl]-2,4-dioxopyrimidine-1-carboxamide
CID 10590250
5-fluoro-N-[3-(4-methoxycyclohexyl)propyl]-2,4-dioxopyrimidine-1-carboxamide
CID 10616173
5-fluoro-N-(2-methoxy-4-methylcyclohexyl)-2,4-dioxopyrimidine-1-carboxamide
CID 10685527
5-fluoro-N-[2-(2-methoxycyclohexyl)ethyl]-2,4-dioxopyrimidine-1-carboxamide
CID 10686640
5-fluoro-N-[2-(4-methoxycyclohexyl)ethyl]-2,4-dioxopyrimidine-1-carboxamide
CID 10757550

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(3-methoxycyclohexyl)methyl]-2,4-dioxopyrimidine-1-carboxamide?
The IUPAC name of 5-fluoro-N-[(3-methoxycyclohexyl)methyl]-2,4-dioxopyrimidine-1-carboxamide (CID 10732881) is 5-fluoro-N-[(3-methoxycyclohexyl)methyl]-2,4-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for 5-fluoro-N-[(3-methoxycyclohexyl)methyl]-2,4-dioxopyrimidine-1-carboxamide?
The canonical SMILES for 5-fluoro-N-[(3-methoxycyclohexyl)methyl]-2,4-dioxopyrimidine-1-carboxamide is COC1CCCC(CNC(=O)n2cc(F)c(=O)[nH]c2=O)C1.
What is the InChIKey of 5-fluoro-N-[(3-methoxycyclohexyl)methyl]-2,4-dioxopyrimidine-1-carboxamide?
The InChIKey is MGKLUDFWFYNPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O4/c1-21-9-4-2-3-8(5-9)6-15-12(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 5-fluoro-N-[(3-methoxycyclohexyl)methyl]-2,4-dioxopyrimidine-1-carboxamide?
5-fluoro-N-[(3-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-[(3-methoxycyclohexyl)methyl]-2,4-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 10732881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).