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

C14H20FN3O5 — CID 10853790

IUPACN-[(3,4-dimethoxycyclohexyl)methyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
SMILESCOC1CCC(CNC(=O)n2cc(F)c(=O)[nH]c2=O)CC1OC
InChIInChI=1S/C14H20FN3O5/c1-22-10-4-3-8(5-11(10)23-2)6-16-13(20)18-7-9(15)12(19)17-14(18)21/h7-8,10-11H,3-6H2,1-2H3,(H,16,20)(H,17,19,21)
InChIKeyUMJJUMBYAMGITQ-UHFFFAOYSA-N
MW329.33 g/mol
LogP0.06
Rot. Bonds4

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

N-[(3,4-dimethoxycyclohexyl)methyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide (PubChem CID 10853790) has the molecular formula C14H20FN3O5 and a molecular weight of 329.33 g/mol. Its IUPAC name is N-[(3,4-dimethoxycyclohexyl)methyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxycyclohexyl)methyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
PubChem CID10853790
Molecular FormulaC14H20FN3O5
Molecular Weight329.33 g/mol
Exact Mass329.14
IUPAC NameN-[(3,4-dimethoxycyclohexyl)methyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
SMILESCOC1CCC(CNC(=O)n2cc(F)c(=O)[nH]c2=O)CC1OC
InChIInChI=1S/C14H20FN3O5/c1-22-10-4-3-8(5-11(10)23-2)6-16-13(20)18-7-9(15)12(19)17-14(18)21/h7-8,10-11H,3-6H2,1-2H3,(H,16,20)(H,17,19,21)
InChIKeyUMJJUMBYAMGITQ-UHFFFAOYSA-N
XLogP0.06
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(3,4-dimethoxycyclohexyl)methyl]-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-[(3,4-dimethoxycyclohexyl)methyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The IUPAC name of N-[(3,4-dimethoxycyclohexyl)methyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide (CID 10853790) is N-[(3,4-dimethoxycyclohexyl)methyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxycyclohexyl)methyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxycyclohexyl)methyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide is COC1CCC(CNC(=O)n2cc(F)c(=O)[nH]c2=O)CC1OC.
What is the InChIKey of N-[(3,4-dimethoxycyclohexyl)methyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The InChIKey is UMJJUMBYAMGITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O5/c1-22-10-4-3-8(5-11(10)23-2)6-16-13(20)18-7-9(15)12(19)17-14(18)21/h7-8,10-11H,3-6H2,1-2H3,(H,16,20)(H,17,19,21).
What are the key properties of N-[(3,4-dimethoxycyclohexyl)methyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
N-[(3,4-dimethoxycyclohexyl)methyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide has a molecular weight of 329.33 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxycyclohexyl)methyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 10853790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).