5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pentanamide

C9H12FN3O3 — CID 130208071

IUPAC5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pentanamide
SMILESNC(=O)CCCCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H12FN3O3/c10-6-5-13(9(16)12-8(6)15)4-2-1-3-7(11)14/h5H,1-4H2,(H2,11,14)(H,12,15,16)
InChIKeyTZUDFCZWWMNTRM-UHFFFAOYSA-N
MW229.21 g/mol
LogP-0.67
Rot. Bonds5

About 5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pentanamide

5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pentanamide (PubChem CID 130208071) has the molecular formula C9H12FN3O3 and a molecular weight of 229.21 g/mol. Its IUPAC name is 5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pentanamide.

Molecular Properties

Compound Name5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pentanamide
PubChem CID130208071
Molecular FormulaC9H12FN3O3
Molecular Weight229.21 g/mol
Exact Mass229.09
IUPAC Name5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pentanamide
SMILESNC(=O)CCCCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H12FN3O3/c10-6-5-13(9(16)12-8(6)15)4-2-1-3-7(11)14/h5H,1-4H2,(H2,11,14)(H,12,15,16)
InChIKeyTZUDFCZWWMNTRM-UHFFFAOYSA-N
XLogP-0.67
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Carmofur
CID 2577
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
1-Cyclopentyl-5-fluoropyrimidine-2,4-dione
CID 10352697
1-Butylcarbamoyl-5-fluorouracil
CID 116542
1-Octanoyl-5-fluorouracil
CID 15228504
1(2H)-Pyrimidinecarboxamide, 5-fluoro-3,4-dihydro-2,4-dioxo-N-propyl-
CID 149039
5-Fluoro-1-(2-oxocyclopentyl)pyrimidine-2,4-dione
CID 10846193
3-Butanoyl-5-fluoropyrimidine-2,4(1H,3H)-dione
CID 23273888
1-Valeryl-5-fluorouracil
CID 15228502
1-(5'-Oxohexylcarbamoyl)-5-fluorouracil
CID 188265
Hexylcarbamoylfluorouracil
CID 69396265

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pentanamide?
The IUPAC name of 5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pentanamide (CID 130208071) is 5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pentanamide.
What is the SMILES notation for 5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pentanamide?
The canonical SMILES for 5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pentanamide is NC(=O)CCCCn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pentanamide?
The InChIKey is TZUDFCZWWMNTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O3/c10-6-5-13(9(16)12-8(6)15)4-2-1-3-7(11)14/h5H,1-4H2,(H2,11,14)(H,12,15,16).
What are the key properties of 5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pentanamide?
5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pentanamide has a molecular weight of 229.21 g/mol, XLogP of -0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pentanamide is sourced from PubChem (CID 130208071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).