2-(3-aminopropyl)-5-fluoro-1H-pyrimidine-4,6-dione

C7H10FN3O2 — CID 80550516

IUPAC2-(3-aminopropyl)-5-fluoro-1H-pyrimidine-4,6-dione
SMILESNCCCC1=NC(=O)C(F)C(=O)N1
InChIInChI=1S/C7H10FN3O2/c8-5-6(12)10-4(2-1-3-9)11-7(5)13/h5H,1-3,9H2,(H,10,11,12,13)
InChIKeyJDYWWVOGBRTSJZ-UHFFFAOYSA-N
MW187.17 g/mol
LogP-0.88
Rot. Bonds3

About 2-(3-aminopropyl)-5-fluoro-1H-pyrimidine-4,6-dione

2-(3-aminopropyl)-5-fluoro-1H-pyrimidine-4,6-dione (PubChem CID 80550516) has the molecular formula C7H10FN3O2 and a molecular weight of 187.17 g/mol. Its IUPAC name is 2-(3-aminopropyl)-5-fluoro-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-(3-aminopropyl)-5-fluoro-1H-pyrimidine-4,6-dione
PubChem CID80550516
Molecular FormulaC7H10FN3O2
Molecular Weight187.17 g/mol
Exact Mass187.08
IUPAC Name2-(3-aminopropyl)-5-fluoro-1H-pyrimidine-4,6-dione
SMILESNCCCC1=NC(=O)C(F)C(=O)N1
InChIInChI=1S/C7H10FN3O2/c8-5-6(12)10-4(2-1-3-9)11-7(5)13/h5H,1-3,9H2,(H,10,11,12,13)
InChIKeyJDYWWVOGBRTSJZ-UHFFFAOYSA-N
XLogP-0.88
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.17
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-2-methyl-1H-pyrimidine-4,6-dione
CID 77520036
2-(2-Aminoethyl)-5-fluoro-1,4,5,6-tetrahydropyrimidine-4,6-dione
CID 80550490
2-(2-aminobutyl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550492
2-(1-aminopropyl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550601
2-(1-aminobutyl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550666
5-fluoro-2-[2-(methylamino)ethyl]-1H-pyrimidine-4,6-dione
CID 80550862
2-(ethylaminomethyl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550893
5-Fluoro-2-[(methylamino)methyl]-1,4,5,6-tetrahydropyrimidine-4,6-dione
CID 80550978
2-(2-aminopropyl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550981
2-(Aminomethyl)-5-fluoro-1,4,5,6-tetrahydropyrimidine-4,6-dione
CID 80551003
2-(1-Aminoethyl)-5-fluoro-1,4,5,6-tetrahydropyrimidine-4,6-dione
CID 80551005
2-(1-aminopropan-2-yl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80551007

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-5-fluoro-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-(3-aminopropyl)-5-fluoro-1H-pyrimidine-4,6-dione (CID 80550516) is 2-(3-aminopropyl)-5-fluoro-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-(3-aminopropyl)-5-fluoro-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-(3-aminopropyl)-5-fluoro-1H-pyrimidine-4,6-dione is NCCCC1=NC(=O)C(F)C(=O)N1.
What is the InChIKey of 2-(3-aminopropyl)-5-fluoro-1H-pyrimidine-4,6-dione?
The InChIKey is JDYWWVOGBRTSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3O2/c8-5-6(12)10-4(2-1-3-9)11-7(5)13/h5H,1-3,9H2,(H,10,11,12,13).
What are the key properties of 2-(3-aminopropyl)-5-fluoro-1H-pyrimidine-4,6-dione?
2-(3-aminopropyl)-5-fluoro-1H-pyrimidine-4,6-dione has a molecular weight of 187.17 g/mol, XLogP of -0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-5-fluoro-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 80550516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).