5-fluoro-N-(3-methoxycyclohexyl)-2,4-dioxopyrimidine-1-carboxamide

C12H16FN3O4 — CID 10803042

IUPAC5-fluoro-N-(3-methoxycyclohexyl)-2,4-dioxopyrimidine-1-carboxamide
SMILESCOC1CCCC(NC(=O)n2cc(F)c(=O)[nH]c2=O)C1
InChIInChI=1S/C12H16FN3O4/c1-20-8-4-2-3-7(5-8)14-11(18)16-6-9(13)10(17)15-12(16)19/h6-8H,2-5H2,1H3,(H,14,18)(H,15,17,19)
InChIKeyITMYSDBZVGGXMF-UHFFFAOYSA-N
MW285.27 g/mol
LogP0.19
Rot. Bonds2

About 5-fluoro-N-(3-methoxycyclohexyl)-2,4-dioxopyrimidine-1-carboxamide

5-fluoro-N-(3-methoxycyclohexyl)-2,4-dioxopyrimidine-1-carboxamide (PubChem CID 10803042) has the molecular formula C12H16FN3O4 and a molecular weight of 285.27 g/mol. Its IUPAC name is 5-fluoro-N-(3-methoxycyclohexyl)-2,4-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(3-methoxycyclohexyl)-2,4-dioxopyrimidine-1-carboxamide
PubChem CID10803042
Molecular FormulaC12H16FN3O4
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name5-fluoro-N-(3-methoxycyclohexyl)-2,4-dioxopyrimidine-1-carboxamide
SMILESCOC1CCCC(NC(=O)n2cc(F)c(=O)[nH]c2=O)C1
InChIInChI=1S/C12H16FN3O4/c1-20-8-4-2-3-7(5-8)14-11(18)16-6-9(13)10(17)15-12(16)19/h6-8H,2-5H2,1H3,(H,14,18)(H,15,17,19)
InChIKeyITMYSDBZVGGXMF-UHFFFAOYSA-N
XLogP0.19
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(3-methoxycyclohexyl)-2,4-dioxopyrimidine-1-carboxamide?
The IUPAC name of 5-fluoro-N-(3-methoxycyclohexyl)-2,4-dioxopyrimidine-1-carboxamide (CID 10803042) is 5-fluoro-N-(3-methoxycyclohexyl)-2,4-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for 5-fluoro-N-(3-methoxycyclohexyl)-2,4-dioxopyrimidine-1-carboxamide?
The canonical SMILES for 5-fluoro-N-(3-methoxycyclohexyl)-2,4-dioxopyrimidine-1-carboxamide is COC1CCCC(NC(=O)n2cc(F)c(=O)[nH]c2=O)C1.
What is the InChIKey of 5-fluoro-N-(3-methoxycyclohexyl)-2,4-dioxopyrimidine-1-carboxamide?
The InChIKey is ITMYSDBZVGGXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O4/c1-20-8-4-2-3-7(5-8)14-11(18)16-6-9(13)10(17)15-12(16)19/h6-8H,2-5H2,1H3,(H,14,18)(H,15,17,19).
What are the key properties of 5-fluoro-N-(3-methoxycyclohexyl)-2,4-dioxopyrimidine-1-carboxamide?
5-fluoro-N-(3-methoxycyclohexyl)-2,4-dioxopyrimidine-1-carboxamide has a molecular weight of 285.27 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(3-methoxycyclohexyl)-2,4-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 10803042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).