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

C15H22FN3O4 — CID 10616173

IUPAC5-fluoro-N-[3-(4-methoxycyclohexyl)propyl]-2,4-dioxopyrimidine-1-carboxamide
SMILESCOC1CCC(CCCNC(=O)n2cc(F)c(=O)[nH]c2=O)CC1
InChIInChI=1S/C15H22FN3O4/c1-23-11-6-4-10(5-7-11)3-2-8-17-14(21)19-9-12(16)13(20)18-15(19)22/h9-11H,2-8H2,1H3,(H,17,21)(H,18,20,22)
InChIKeyWCIGOPCKDFEBSY-UHFFFAOYSA-N
MW327.36 g/mol
LogP1.22
Rot. Bonds5

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

5-fluoro-N-[3-(4-methoxycyclohexyl)propyl]-2,4-dioxopyrimidine-1-carboxamide (PubChem CID 10616173) has the molecular formula C15H22FN3O4 and a molecular weight of 327.36 g/mol. Its IUPAC name is 5-fluoro-N-[3-(4-methoxycyclohexyl)propyl]-2,4-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[3-(4-methoxycyclohexyl)propyl]-2,4-dioxopyrimidine-1-carboxamide
PubChem CID10616173
Molecular FormulaC15H22FN3O4
Molecular Weight327.36 g/mol
Exact Mass327.16
IUPAC Name5-fluoro-N-[3-(4-methoxycyclohexyl)propyl]-2,4-dioxopyrimidine-1-carboxamide
SMILESCOC1CCC(CCCNC(=O)n2cc(F)c(=O)[nH]c2=O)CC1
InChIInChI=1S/C15H22FN3O4/c1-23-11-6-4-10(5-7-11)3-2-8-17-14(21)19-9-12(16)13(20)18-15(19)22/h9-11H,2-8H2,1H3,(H,17,21)(H,18,20,22)
InChIKeyWCIGOPCKDFEBSY-UHFFFAOYSA-N
XLogP1.22
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[3-(4-methoxycyclohexyl)propyl]-2,4-dioxopyrimidine-1-carboxamide?
The IUPAC name of 5-fluoro-N-[3-(4-methoxycyclohexyl)propyl]-2,4-dioxopyrimidine-1-carboxamide (CID 10616173) is 5-fluoro-N-[3-(4-methoxycyclohexyl)propyl]-2,4-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for 5-fluoro-N-[3-(4-methoxycyclohexyl)propyl]-2,4-dioxopyrimidine-1-carboxamide?
The canonical SMILES for 5-fluoro-N-[3-(4-methoxycyclohexyl)propyl]-2,4-dioxopyrimidine-1-carboxamide is COC1CCC(CCCNC(=O)n2cc(F)c(=O)[nH]c2=O)CC1.
What is the InChIKey of 5-fluoro-N-[3-(4-methoxycyclohexyl)propyl]-2,4-dioxopyrimidine-1-carboxamide?
The InChIKey is WCIGOPCKDFEBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O4/c1-23-11-6-4-10(5-7-11)3-2-8-17-14(21)19-9-12(16)13(20)18-15(19)22/h9-11H,2-8H2,1H3,(H,17,21)(H,18,20,22).
What are the key properties of 5-fluoro-N-[3-(4-methoxycyclohexyl)propyl]-2,4-dioxopyrimidine-1-carboxamide?
5-fluoro-N-[3-(4-methoxycyclohexyl)propyl]-2,4-dioxopyrimidine-1-carboxamide has a molecular weight of 327.36 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[3-(4-methoxycyclohexyl)propyl]-2,4-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 10616173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).