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

C14H20FN3O4 — CID 10686640

IUPAC5-fluoro-N-[2-(2-methoxycyclohexyl)ethyl]-2,4-dioxopyrimidine-1-carboxamide
SMILESCOC1CCCCC1CCNC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C14H20FN3O4/c1-22-11-5-3-2-4-9(11)6-7-16-13(20)18-8-10(15)12(19)17-14(18)21/h8-9,11H,2-7H2,1H3,(H,16,20)(H,17,19,21)
InChIKeyTWILADUNUFLKPJ-UHFFFAOYSA-N
MW313.33 g/mol
LogP0.83
Rot. Bonds4

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

5-fluoro-N-[2-(2-methoxycyclohexyl)ethyl]-2,4-dioxopyrimidine-1-carboxamide (PubChem CID 10686640) has the molecular formula C14H20FN3O4 and a molecular weight of 313.33 g/mol. Its IUPAC name is 5-fluoro-N-[2-(2-methoxycyclohexyl)ethyl]-2,4-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[2-(2-methoxycyclohexyl)ethyl]-2,4-dioxopyrimidine-1-carboxamide
PubChem CID10686640
Molecular FormulaC14H20FN3O4
Molecular Weight313.33 g/mol
Exact Mass313.14
IUPAC Name5-fluoro-N-[2-(2-methoxycyclohexyl)ethyl]-2,4-dioxopyrimidine-1-carboxamide
SMILESCOC1CCCCC1CCNC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C14H20FN3O4/c1-22-11-5-3-2-4-9(11)6-7-16-13(20)18-8-10(15)12(19)17-14(18)21/h8-9,11H,2-7H2,1H3,(H,16,20)(H,17,19,21)
InChIKeyTWILADUNUFLKPJ-UHFFFAOYSA-N
XLogP0.83
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-[(2,4-dimethoxycyclohexyl)methyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
CID 10830193
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-[(3-methoxycyclohexyl)methyl]-2,4-dioxopyrimidine-1-carboxamide
CID 10732881
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-[2-(2-methoxycyclohexyl)ethyl]-2,4-dioxopyrimidine-1-carboxamide?
The IUPAC name of 5-fluoro-N-[2-(2-methoxycyclohexyl)ethyl]-2,4-dioxopyrimidine-1-carboxamide (CID 10686640) is 5-fluoro-N-[2-(2-methoxycyclohexyl)ethyl]-2,4-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for 5-fluoro-N-[2-(2-methoxycyclohexyl)ethyl]-2,4-dioxopyrimidine-1-carboxamide?
The canonical SMILES for 5-fluoro-N-[2-(2-methoxycyclohexyl)ethyl]-2,4-dioxopyrimidine-1-carboxamide is COC1CCCCC1CCNC(=O)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-N-[2-(2-methoxycyclohexyl)ethyl]-2,4-dioxopyrimidine-1-carboxamide?
The InChIKey is TWILADUNUFLKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O4/c1-22-11-5-3-2-4-9(11)6-7-16-13(20)18-8-10(15)12(19)17-14(18)21/h8-9,11H,2-7H2,1H3,(H,16,20)(H,17,19,21).
What are the key properties of 5-fluoro-N-[2-(2-methoxycyclohexyl)ethyl]-2,4-dioxopyrimidine-1-carboxamide?
5-fluoro-N-[2-(2-methoxycyclohexyl)ethyl]-2,4-dioxopyrimidine-1-carboxamide has a molecular weight of 313.33 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[2-(2-methoxycyclohexyl)ethyl]-2,4-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 10686640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).