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

C7H10FN3O2 — CID 80550893

IUPAC2-(ethylaminomethyl)-5-fluoro-1H-pyrimidine-4,6-dione
SMILESCCNCC1=NC(=O)C(F)C(=O)N1
InChIInChI=1S/C7H10FN3O2/c1-2-9-3-4-10-6(12)5(8)7(13)11-4/h5,9H,2-3H2,1H3,(H,10,11,12,13)
InChIKeyVTMXYOOWHAHMPD-UHFFFAOYSA-N
MW187.17 g/mol
LogP-1.01
Rot. Bonds3

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

2-(ethylaminomethyl)-5-fluoro-1H-pyrimidine-4,6-dione (PubChem CID 80550893) has the molecular formula C7H10FN3O2 and a molecular weight of 187.17 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-5-fluoro-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-(ethylaminomethyl)-5-fluoro-1H-pyrimidine-4,6-dione
PubChem CID80550893
Molecular FormulaC7H10FN3O2
Molecular Weight187.17 g/mol
Exact Mass187.08
IUPAC Name2-(ethylaminomethyl)-5-fluoro-1H-pyrimidine-4,6-dione
SMILESCCNCC1=NC(=O)C(F)C(=O)N1
InChIInChI=1S/C7H10FN3O2/c1-2-9-3-4-10-6(12)5(8)7(13)11-4/h5,9H,2-3H2,1H3,(H,10,11,12,13)
InChIKeyVTMXYOOWHAHMPD-UHFFFAOYSA-N
XLogP-1.01
TPSA70.56 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 ≤ 5-1.01
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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Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-5-fluoro-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-(ethylaminomethyl)-5-fluoro-1H-pyrimidine-4,6-dione (CID 80550893) is 2-(ethylaminomethyl)-5-fluoro-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-(ethylaminomethyl)-5-fluoro-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-(ethylaminomethyl)-5-fluoro-1H-pyrimidine-4,6-dione is CCNCC1=NC(=O)C(F)C(=O)N1.
What is the InChIKey of 2-(ethylaminomethyl)-5-fluoro-1H-pyrimidine-4,6-dione?
The InChIKey is VTMXYOOWHAHMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3O2/c1-2-9-3-4-10-6(12)5(8)7(13)11-4/h5,9H,2-3H2,1H3,(H,10,11,12,13).
What are the key properties of 2-(ethylaminomethyl)-5-fluoro-1H-pyrimidine-4,6-dione?
2-(ethylaminomethyl)-5-fluoro-1H-pyrimidine-4,6-dione has a molecular weight of 187.17 g/mol, XLogP of -1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-5-fluoro-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 80550893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).