N-(3-aminopropyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide

C9H13FN4O3 — CID 12844150

IUPACN-(3-aminopropyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide
SMILESNCCCNC(=O)Cn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H13FN4O3/c10-6-4-14(9(17)13-8(6)16)5-7(15)12-3-1-2-11/h4H,1-3,5,11H2,(H,12,15)(H,13,16,17)
InChIKeyBXCVKNFIGRUTRS-UHFFFAOYSA-N
MW244.23 g/mol
LogP-1.86
Rot. Bonds5

About N-(3-aminopropyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide

N-(3-aminopropyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 12844150) has the molecular formula C9H13FN4O3 and a molecular weight of 244.23 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID12844150
Molecular FormulaC9H13FN4O3
Molecular Weight244.23 g/mol
Exact Mass244.10
IUPAC NameN-(3-aminopropyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide
SMILESNCCCNC(=O)Cn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H13FN4O3/c10-6-4-14(9(17)13-8(6)16)5-7(15)12-3-1-2-11/h4H,1-3,5,11H2,(H,12,15)(H,13,16,17)
InChIKeyBXCVKNFIGRUTRS-UHFFFAOYSA-N
XLogP-1.86
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 5-1.86
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-(3-aminopropyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(3-aminopropyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide (CID 12844150) is N-(3-aminopropyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(3-aminopropyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(3-aminopropyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide is NCCCNC(=O)Cn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of N-(3-aminopropyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is BXCVKNFIGRUTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN4O3/c10-6-4-14(9(17)13-8(6)16)5-7(15)12-3-1-2-11/h4H,1-3,5,11H2,(H,12,15)(H,13,16,17).
What are the key properties of N-(3-aminopropyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide?
N-(3-aminopropyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 244.23 g/mol, XLogP of -1.86, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 12844150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).