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

C16H24FN3O6 — CID 10738089

IUPAC5-fluoro-2,4-dioxo-N-[2-(2,3,4-trimethoxycyclohexyl)ethyl]pyrimidine-1-carboxamide
SMILESCOC1CCC(CCNC(=O)n2cc(F)c(=O)[nH]c2=O)C(OC)C1OC
InChIInChI=1S/C16H24FN3O6/c1-24-11-5-4-9(12(25-2)13(11)26-3)6-7-18-15(22)20-8-10(17)14(21)19-16(20)23/h8-9,11-13H,4-7H2,1-3H3,(H,18,22)(H,19,21,23)
InChIKeyGRYNMPXAQMQNER-UHFFFAOYSA-N
MW373.38 g/mol
LogP0.08
Rot. Bonds6

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

5-fluoro-2,4-dioxo-N-[2-(2,3,4-trimethoxycyclohexyl)ethyl]pyrimidine-1-carboxamide (PubChem CID 10738089) has the molecular formula C16H24FN3O6 and a molecular weight of 373.38 g/mol. Its IUPAC name is 5-fluoro-2,4-dioxo-N-[2-(2,3,4-trimethoxycyclohexyl)ethyl]pyrimidine-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-2,4-dioxo-N-[2-(2,3,4-trimethoxycyclohexyl)ethyl]pyrimidine-1-carboxamide
PubChem CID10738089
Molecular FormulaC16H24FN3O6
Molecular Weight373.38 g/mol
Exact Mass373.16
IUPAC Name5-fluoro-2,4-dioxo-N-[2-(2,3,4-trimethoxycyclohexyl)ethyl]pyrimidine-1-carboxamide
SMILESCOC1CCC(CCNC(=O)n2cc(F)c(=O)[nH]c2=O)C(OC)C1OC
InChIInChI=1S/C16H24FN3O6/c1-24-11-5-4-9(12(25-2)13(11)26-3)6-7-18-15(22)20-8-10(17)14(21)19-16(20)23/h8-9,11-13H,4-7H2,1-3H3,(H,18,22)(H,19,21,23)
InChIKeyGRYNMPXAQMQNER-UHFFFAOYSA-N
XLogP0.08
TPSA111.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 50.08
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-[2-(2,3,4-trimethoxycyclohexyl)ethyl]pyrimidine-1-carboxamide?
The IUPAC name of 5-fluoro-2,4-dioxo-N-[2-(2,3,4-trimethoxycyclohexyl)ethyl]pyrimidine-1-carboxamide (CID 10738089) is 5-fluoro-2,4-dioxo-N-[2-(2,3,4-trimethoxycyclohexyl)ethyl]pyrimidine-1-carboxamide.
What is the SMILES notation for 5-fluoro-2,4-dioxo-N-[2-(2,3,4-trimethoxycyclohexyl)ethyl]pyrimidine-1-carboxamide?
The canonical SMILES for 5-fluoro-2,4-dioxo-N-[2-(2,3,4-trimethoxycyclohexyl)ethyl]pyrimidine-1-carboxamide is COC1CCC(CCNC(=O)n2cc(F)c(=O)[nH]c2=O)C(OC)C1OC.
What is the InChIKey of 5-fluoro-2,4-dioxo-N-[2-(2,3,4-trimethoxycyclohexyl)ethyl]pyrimidine-1-carboxamide?
The InChIKey is GRYNMPXAQMQNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O6/c1-24-11-5-4-9(12(25-2)13(11)26-3)6-7-18-15(22)20-8-10(17)14(21)19-16(20)23/h8-9,11-13H,4-7H2,1-3H3,(H,18,22)(H,19,21,23).
What are the key properties of 5-fluoro-2,4-dioxo-N-[2-(2,3,4-trimethoxycyclohexyl)ethyl]pyrimidine-1-carboxamide?
5-fluoro-2,4-dioxo-N-[2-(2,3,4-trimethoxycyclohexyl)ethyl]pyrimidine-1-carboxamide has a molecular weight of 373.38 g/mol, XLogP of 0.08, 6 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-[2-(2,3,4-trimethoxycyclohexyl)ethyl]pyrimidine-1-carboxamide is sourced from PubChem (CID 10738089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).