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

C12H16FN3O3 — CID 177371898

IUPACN-(2-cyclopentylethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
SMILESO=C(NCCC1CCCC1)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C12H16FN3O3/c13-9-7-16(12(19)15-10(9)17)11(18)14-6-5-8-3-1-2-4-8/h7-8H,1-6H2,(H,14,18)(H,15,17,19)
InChIKeyQMMGDEBLYKOVFX-UHFFFAOYSA-N
MW269.28 g/mol
LogP0.81
Rot. Bonds3

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

N-(2-cyclopentylethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide (PubChem CID 177371898) has the molecular formula C12H16FN3O3 and a molecular weight of 269.28 g/mol. Its IUPAC name is N-(2-cyclopentylethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopentylethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
PubChem CID177371898
Molecular FormulaC12H16FN3O3
Molecular Weight269.28 g/mol
Exact Mass269.12
IUPAC NameN-(2-cyclopentylethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
SMILESO=C(NCCC1CCCC1)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C12H16FN3O3/c13-9-7-16(12(19)15-10(9)17)11(18)14-6-5-8-3-1-2-4-8/h7-8H,1-6H2,(H,14,18)(H,15,17,19)
InChIKeyQMMGDEBLYKOVFX-UHFFFAOYSA-N
XLogP0.81
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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

Carmofur
CID 2577
1(2H)-Pyrimidinecarboxamide, 5-fluoro-3,4-dihydro-N-octyl-2,4-dioxo-
CID 116543
5-fluoro-N-hexyl-3-methyl-2,4-dioxopyrimidine-1-carboxamide
CID 71654966
3-ethyl-5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide
CID 71654968
3-(cyclopropylmethyl)-5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide
CID 71654969
5-fluoro-N-hexyl-3-(2-methylpropanoyl)-2,4-dioxopyrimidine-1-carboxamide
CID 71655039
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-(4-cyclohexylbutyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
CID 177638731
i-Hexylcarbamoyl-5-fluorouracil
CID 68650562
Hexylcarbamoylfluorouracil
CID 69396265
1(2H)-Pyrimidinecarboxamide, 5-fluoro-N-heptyl-3,4-dihydro-2,4-dioxo-
CID 152039

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The IUPAC name of N-(2-cyclopentylethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide (CID 177371898) is N-(2-cyclopentylethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for N-(2-cyclopentylethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The canonical SMILES for N-(2-cyclopentylethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide is O=C(NCCC1CCCC1)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of N-(2-cyclopentylethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The InChIKey is QMMGDEBLYKOVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O3/c13-9-7-16(12(19)15-10(9)17)11(18)14-6-5-8-3-1-2-4-8/h7-8H,1-6H2,(H,14,18)(H,15,17,19).
What are the key properties of N-(2-cyclopentylethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
N-(2-cyclopentylethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide has a molecular weight of 269.28 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 177371898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).