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

C10H15FN4O3 — CID 14182375

IUPACN-(5-aminopentyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
SMILESNCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C10H15FN4O3/c11-7-6-15(10(18)14-8(7)16)9(17)13-5-3-1-2-4-12/h6H,1-5,12H2,(H,13,17)(H,14,16,18)
InChIKeyQWEAGHHXMNWQPF-UHFFFAOYSA-N
MW258.25 g/mol
LogP-0.64
Rot. Bonds5

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

N-(5-aminopentyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide (PubChem CID 14182375) has the molecular formula C10H15FN4O3 and a molecular weight of 258.25 g/mol. Its IUPAC name is N-(5-aminopentyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-aminopentyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
PubChem CID14182375
Molecular FormulaC10H15FN4O3
Molecular Weight258.25 g/mol
Exact Mass258.11
IUPAC NameN-(5-aminopentyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
SMILESNCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C10H15FN4O3/c11-7-6-15(10(18)14-8(7)16)9(17)13-5-3-1-2-4-12/h6H,1-5,12H2,(H,13,17)(H,14,16,18)
InChIKeyQWEAGHHXMNWQPF-UHFFFAOYSA-N
XLogP-0.64
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The IUPAC name of N-(5-aminopentyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide (CID 14182375) is N-(5-aminopentyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for N-(5-aminopentyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The canonical SMILES for N-(5-aminopentyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide is NCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of N-(5-aminopentyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The InChIKey is QWEAGHHXMNWQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4O3/c11-7-6-15(10(18)14-8(7)16)9(17)13-5-3-1-2-4-12/h6H,1-5,12H2,(H,13,17)(H,14,16,18).
What are the key properties of N-(5-aminopentyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
N-(5-aminopentyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide has a molecular weight of 258.25 g/mol, XLogP of -0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 14182375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).