N-[2-(3,4-dimethoxycyclohexyl)ethyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide

C15H22FN3O5 — CID 10688724

IUPACN-[2-(3,4-dimethoxycyclohexyl)ethyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
SMILESCOC1CCC(CCNC(=O)n2cc(F)c(=O)[nH]c2=O)CC1OC
InChIInChI=1S/C15H22FN3O5/c1-23-11-4-3-9(7-12(11)24-2)5-6-17-14(21)19-8-10(16)13(20)18-15(19)22/h8-9,11-12H,3-7H2,1-2H3,(H,17,21)(H,18,20,22)
InChIKeyBXKKHNRWQOPLMU-UHFFFAOYSA-N
MW343.36 g/mol
LogP0.45
Rot. Bonds5

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

N-[2-(3,4-dimethoxycyclohexyl)ethyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide (PubChem CID 10688724) has the molecular formula C15H22FN3O5 and a molecular weight of 343.36 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxycyclohexyl)ethyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxycyclohexyl)ethyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
PubChem CID10688724
Molecular FormulaC15H22FN3O5
Molecular Weight343.36 g/mol
Exact Mass343.15
IUPAC NameN-[2-(3,4-dimethoxycyclohexyl)ethyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
SMILESCOC1CCC(CCNC(=O)n2cc(F)c(=O)[nH]c2=O)CC1OC
InChIInChI=1S/C15H22FN3O5/c1-23-11-4-3-9(7-12(11)24-2)5-6-17-14(21)19-8-10(16)13(20)18-15(19)22/h8-9,11-12H,3-7H2,1-2H3,(H,17,21)(H,18,20,22)
InChIKeyBXKKHNRWQOPLMU-UHFFFAOYSA-N
XLogP0.45
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(3,4-dimethoxycyclohexyl)ethyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxycyclohexyl)ethyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxycyclohexyl)ethyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide (CID 10688724) is N-[2-(3,4-dimethoxycyclohexyl)ethyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxycyclohexyl)ethyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxycyclohexyl)ethyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide is COC1CCC(CCNC(=O)n2cc(F)c(=O)[nH]c2=O)CC1OC.
What is the InChIKey of N-[2-(3,4-dimethoxycyclohexyl)ethyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The InChIKey is BXKKHNRWQOPLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O5/c1-23-11-4-3-9(7-12(11)24-2)5-6-17-14(21)19-8-10(16)13(20)18-15(19)22/h8-9,11-12H,3-7H2,1-2H3,(H,17,21)(H,18,20,22).
What are the key properties of N-[2-(3,4-dimethoxycyclohexyl)ethyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
N-[2-(3,4-dimethoxycyclohexyl)ethyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide has a molecular weight of 343.36 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxycyclohexyl)ethyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 10688724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).