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

C12H16FN3O3 — CID 10539904

IUPAC5-fluoro-N-(4-methylcyclohexyl)-2,4-dioxopyrimidine-1-carboxamide
SMILESCC1CCC(NC(=O)n2cc(F)c(=O)[nH]c2=O)CC1
InChIInChI=1S/C12H16FN3O3/c1-7-2-4-8(5-3-7)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)
InChIKeyIPWCSOBJKXKFQU-UHFFFAOYSA-N
MW269.28 g/mol
LogP0.81
Rot. Bonds1

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

5-fluoro-N-(4-methylcyclohexyl)-2,4-dioxopyrimidine-1-carboxamide (PubChem CID 10539904) has the molecular formula C12H16FN3O3 and a molecular weight of 269.28 g/mol. Its IUPAC name is 5-fluoro-N-(4-methylcyclohexyl)-2,4-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(4-methylcyclohexyl)-2,4-dioxopyrimidine-1-carboxamide
PubChem CID10539904
Molecular FormulaC12H16FN3O3
Molecular Weight269.28 g/mol
Exact Mass269.12
IUPAC Name5-fluoro-N-(4-methylcyclohexyl)-2,4-dioxopyrimidine-1-carboxamide
SMILESCC1CCC(NC(=O)n2cc(F)c(=O)[nH]c2=O)CC1
InChIInChI=1S/C12H16FN3O3/c1-7-2-4-8(5-3-7)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)
InChIKeyIPWCSOBJKXKFQU-UHFFFAOYSA-N
XLogP0.81
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclohexylethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
CID 10636696
N-(3-cyclohexylpropyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
CID 13231115
N-(2-cyclopentylethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
CID 177371898
N-(4-cyclohexylbutyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
CID 177638731
i-Hexylcarbamoyl-5-fluorouracil
CID 68650562
1-Cyclohexylcarbamoyl-5-fluorouracil
CID 151346
1(2H)-Pyrimidinecarboxamide, 5-fluoro-N-heptyl-3,4-dihydro-2,4-dioxo-
CID 152039
5-fluoro-N-(2-methylcyclohexyl)-2,4-dioxopyrimidine-1-carboxamide
CID 10563888
N-(cyclohexylmethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
CID 10730672
5-fluoro-N-(4-methylpentyl)-2,4-dioxopyrimidine-1-carboxamide
CID 68650560
N-cyclohexyl-5-fluoro-2,4-dioxo-1H-pyrimidine-3-carboxamide
CID 70630553
6-[[(1S)-1-(4,4-difluorocyclohexyl)ethyl]amino]-3-propan-2-yl-1H-pyrimidine-2,4-dione
CID 86345920

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(4-methylcyclohexyl)-2,4-dioxopyrimidine-1-carboxamide?
The IUPAC name of 5-fluoro-N-(4-methylcyclohexyl)-2,4-dioxopyrimidine-1-carboxamide (CID 10539904) is 5-fluoro-N-(4-methylcyclohexyl)-2,4-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for 5-fluoro-N-(4-methylcyclohexyl)-2,4-dioxopyrimidine-1-carboxamide?
The canonical SMILES for 5-fluoro-N-(4-methylcyclohexyl)-2,4-dioxopyrimidine-1-carboxamide is CC1CCC(NC(=O)n2cc(F)c(=O)[nH]c2=O)CC1.
What is the InChIKey of 5-fluoro-N-(4-methylcyclohexyl)-2,4-dioxopyrimidine-1-carboxamide?
The InChIKey is IPWCSOBJKXKFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O3/c1-7-2-4-8(5-3-7)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-(4-methylcyclohexyl)-2,4-dioxopyrimidine-1-carboxamide?
5-fluoro-N-(4-methylcyclohexyl)-2,4-dioxopyrimidine-1-carboxamide has a molecular weight of 269.28 g/mol, XLogP of 0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(4-methylcyclohexyl)-2,4-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 10539904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).