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

C14H20FN3O5 — CID 10830193

IUPACN-[(2,4-dimethoxycyclohexyl)methyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
SMILESCOC1CCC(CNC(=O)n2cc(F)c(=O)[nH]c2=O)C(OC)C1
InChIInChI=1S/C14H20FN3O5/c1-22-9-4-3-8(11(5-9)23-2)6-16-13(20)18-7-10(15)12(19)17-14(18)21/h7-9,11H,3-6H2,1-2H3,(H,16,20)(H,17,19,21)
InChIKeyMABDGDJENGPYME-UHFFFAOYSA-N
MW329.33 g/mol
LogP0.06
Rot. Bonds4

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

N-[(2,4-dimethoxycyclohexyl)methyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide (PubChem CID 10830193) has the molecular formula C14H20FN3O5 and a molecular weight of 329.33 g/mol. Its IUPAC name is N-[(2,4-dimethoxycyclohexyl)methyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxycyclohexyl)methyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
PubChem CID10830193
Molecular FormulaC14H20FN3O5
Molecular Weight329.33 g/mol
Exact Mass329.14
IUPAC NameN-[(2,4-dimethoxycyclohexyl)methyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
SMILESCOC1CCC(CNC(=O)n2cc(F)c(=O)[nH]c2=O)C(OC)C1
InChIInChI=1S/C14H20FN3O5/c1-22-9-4-3-8(11(5-9)23-2)6-16-13(20)18-7-10(15)12(19)17-14(18)21/h7-9,11H,3-6H2,1-2H3,(H,16,20)(H,17,19,21)
InChIKeyMABDGDJENGPYME-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

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxycyclohexyl)methyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The IUPAC name of N-[(2,4-dimethoxycyclohexyl)methyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide (CID 10830193) is N-[(2,4-dimethoxycyclohexyl)methyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for N-[(2,4-dimethoxycyclohexyl)methyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The canonical SMILES for N-[(2,4-dimethoxycyclohexyl)methyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide is COC1CCC(CNC(=O)n2cc(F)c(=O)[nH]c2=O)C(OC)C1.
What is the InChIKey of N-[(2,4-dimethoxycyclohexyl)methyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The InChIKey is MABDGDJENGPYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O5/c1-22-9-4-3-8(11(5-9)23-2)6-16-13(20)18-7-10(15)12(19)17-14(18)21/h7-9,11H,3-6H2,1-2H3,(H,16,20)(H,17,19,21).
What are the key properties of N-[(2,4-dimethoxycyclohexyl)methyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
N-[(2,4-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-[(2,4-dimethoxycyclohexyl)methyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 10830193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).