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

C14H20FN3O4 — CID 10662980

IUPACN-[(4-ethoxycyclohexyl)methyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
SMILESCCOC1CCC(CNC(=O)n2cc(F)c(=O)[nH]c2=O)CC1
InChIInChI=1S/C14H20FN3O4/c1-2-22-10-5-3-9(4-6-10)7-16-13(20)18-8-11(15)12(19)17-14(18)21/h8-10H,2-7H2,1H3,(H,16,20)(H,17,19,21)
InChIKeyCWQQLKNYCUBPIH-UHFFFAOYSA-N
MW313.33 g/mol
LogP0.83
Rot. Bonds4

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

N-[(4-ethoxycyclohexyl)methyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide (PubChem CID 10662980) has the molecular formula C14H20FN3O4 and a molecular weight of 313.33 g/mol. Its IUPAC name is N-[(4-ethoxycyclohexyl)methyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxycyclohexyl)methyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
PubChem CID10662980
Molecular FormulaC14H20FN3O4
Molecular Weight313.33 g/mol
Exact Mass313.14
IUPAC NameN-[(4-ethoxycyclohexyl)methyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
SMILESCCOC1CCC(CNC(=O)n2cc(F)c(=O)[nH]c2=O)CC1
InChIInChI=1S/C14H20FN3O4/c1-2-22-10-5-3-9(4-6-10)7-16-13(20)18-8-11(15)12(19)17-14(18)21/h8-10H,2-7H2,1H3,(H,16,20)(H,17,19,21)
InChIKeyCWQQLKNYCUBPIH-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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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxycyclohexyl)methyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The IUPAC name of N-[(4-ethoxycyclohexyl)methyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide (CID 10662980) is N-[(4-ethoxycyclohexyl)methyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for N-[(4-ethoxycyclohexyl)methyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The canonical SMILES for N-[(4-ethoxycyclohexyl)methyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide is CCOC1CCC(CNC(=O)n2cc(F)c(=O)[nH]c2=O)CC1.
What is the InChIKey of N-[(4-ethoxycyclohexyl)methyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The InChIKey is CWQQLKNYCUBPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O4/c1-2-22-10-5-3-9(4-6-10)7-16-13(20)18-8-11(15)12(19)17-14(18)21/h8-10H,2-7H2,1H3,(H,16,20)(H,17,19,21).
What are the key properties of N-[(4-ethoxycyclohexyl)methyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
N-[(4-ethoxycyclohexyl)methyl]-5-fluoro-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 N-[(4-ethoxycyclohexyl)methyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 10662980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).