5-fluoro-2,4-dioxo-N-[(3,4,5-trimethoxycyclohexyl)methyl]pyrimidine-1-carboxamide

C15H22FN3O6 — CID 10808390

IUPAC5-fluoro-2,4-dioxo-N-[(3,4,5-trimethoxycyclohexyl)methyl]pyrimidine-1-carboxamide
SMILESCOC1CC(CNC(=O)n2cc(F)c(=O)[nH]c2=O)CC(OC)C1OC
InChIInChI=1S/C15H22FN3O6/c1-23-10-4-8(5-11(24-2)12(10)25-3)6-17-14(21)19-7-9(16)13(20)18-15(19)22/h7-8,10-12H,4-6H2,1-3H3,(H,17,21)(H,18,20,22)
InChIKeyONGGRZQBQGGMHY-UHFFFAOYSA-N
MW359.35 g/mol
LogP-0.31
Rot. Bonds5

About 5-fluoro-2,4-dioxo-N-[(3,4,5-trimethoxycyclohexyl)methyl]pyrimidine-1-carboxamide

5-fluoro-2,4-dioxo-N-[(3,4,5-trimethoxycyclohexyl)methyl]pyrimidine-1-carboxamide (PubChem CID 10808390) has the molecular formula C15H22FN3O6 and a molecular weight of 359.35 g/mol. Its IUPAC name is 5-fluoro-2,4-dioxo-N-[(3,4,5-trimethoxycyclohexyl)methyl]pyrimidine-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-2,4-dioxo-N-[(3,4,5-trimethoxycyclohexyl)methyl]pyrimidine-1-carboxamide
PubChem CID10808390
Molecular FormulaC15H22FN3O6
Molecular Weight359.35 g/mol
Exact Mass359.15
IUPAC Name5-fluoro-2,4-dioxo-N-[(3,4,5-trimethoxycyclohexyl)methyl]pyrimidine-1-carboxamide
SMILESCOC1CC(CNC(=O)n2cc(F)c(=O)[nH]c2=O)CC(OC)C1OC
InChIInChI=1S/C15H22FN3O6/c1-23-10-4-8(5-11(24-2)12(10)25-3)6-17-14(21)19-7-9(16)13(20)18-15(19)22/h7-8,10-12H,4-6H2,1-3H3,(H,17,21)(H,18,20,22)
InChIKeyONGGRZQBQGGMHY-UHFFFAOYSA-N
XLogP-0.31
TPSA111.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,4-dioxo-N-[(3,4,5-trimethoxycyclohexyl)methyl]pyrimidine-1-carboxamide?
The IUPAC name of 5-fluoro-2,4-dioxo-N-[(3,4,5-trimethoxycyclohexyl)methyl]pyrimidine-1-carboxamide (CID 10808390) is 5-fluoro-2,4-dioxo-N-[(3,4,5-trimethoxycyclohexyl)methyl]pyrimidine-1-carboxamide.
What is the SMILES notation for 5-fluoro-2,4-dioxo-N-[(3,4,5-trimethoxycyclohexyl)methyl]pyrimidine-1-carboxamide?
The canonical SMILES for 5-fluoro-2,4-dioxo-N-[(3,4,5-trimethoxycyclohexyl)methyl]pyrimidine-1-carboxamide is COC1CC(CNC(=O)n2cc(F)c(=O)[nH]c2=O)CC(OC)C1OC.
What is the InChIKey of 5-fluoro-2,4-dioxo-N-[(3,4,5-trimethoxycyclohexyl)methyl]pyrimidine-1-carboxamide?
The InChIKey is ONGGRZQBQGGMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O6/c1-23-10-4-8(5-11(24-2)12(10)25-3)6-17-14(21)19-7-9(16)13(20)18-15(19)22/h7-8,10-12H,4-6H2,1-3H3,(H,17,21)(H,18,20,22).
What are the key properties of 5-fluoro-2,4-dioxo-N-[(3,4,5-trimethoxycyclohexyl)methyl]pyrimidine-1-carboxamide?
5-fluoro-2,4-dioxo-N-[(3,4,5-trimethoxycyclohexyl)methyl]pyrimidine-1-carboxamide has a molecular weight of 359.35 g/mol, XLogP of -0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,4-dioxo-N-[(3,4,5-trimethoxycyclohexyl)methyl]pyrimidine-1-carboxamide is sourced from PubChem (CID 10808390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).