6-amino-3-ethyl-5-fluoro-1H-pyrimidine-2,4-dione

C6H8FN3O2 — CID 144763322

IUPAC6-amino-3-ethyl-5-fluoro-1H-pyrimidine-2,4-dione
SMILESCCn1c(=O)[nH]c(N)c(F)c1=O
InChIInChI=1S/C6H8FN3O2/c1-2-10-5(11)3(7)4(8)9-6(10)12/h2,8H2,1H3,(H,9,12)
InChIKeyFSHVXLUDDZJISI-UHFFFAOYSA-N
MW173.15 g/mol
LogP-0.72
Rot. Bonds1

About 6-amino-3-ethyl-5-fluoro-1H-pyrimidine-2,4-dione

6-amino-3-ethyl-5-fluoro-1H-pyrimidine-2,4-dione (PubChem CID 144763322) has the molecular formula C6H8FN3O2 and a molecular weight of 173.15 g/mol. Its IUPAC name is 6-amino-3-ethyl-5-fluoro-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-ethyl-5-fluoro-1H-pyrimidine-2,4-dione
PubChem CID144763322
Molecular FormulaC6H8FN3O2
Molecular Weight173.15 g/mol
Exact Mass173.06
IUPAC Name6-amino-3-ethyl-5-fluoro-1H-pyrimidine-2,4-dione
SMILESCCn1c(=O)[nH]c(N)c(F)c1=O
InChIInChI=1S/C6H8FN3O2/c1-2-10-5(11)3(7)4(8)9-6(10)12/h2,8H2,1H3,(H,9,12)
InChIKeyFSHVXLUDDZJISI-UHFFFAOYSA-N
XLogP-0.72
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.15
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-ethyl-5-fluoro-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-ethyl-5-fluoro-1H-pyrimidine-2,4-dione (CID 144763322) is 6-amino-3-ethyl-5-fluoro-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-ethyl-5-fluoro-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-ethyl-5-fluoro-1H-pyrimidine-2,4-dione is CCn1c(=O)[nH]c(N)c(F)c1=O.
What is the InChIKey of 6-amino-3-ethyl-5-fluoro-1H-pyrimidine-2,4-dione?
The InChIKey is FSHVXLUDDZJISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN3O2/c1-2-10-5(11)3(7)4(8)9-6(10)12/h2,8H2,1H3,(H,9,12).
What are the key properties of 6-amino-3-ethyl-5-fluoro-1H-pyrimidine-2,4-dione?
6-amino-3-ethyl-5-fluoro-1H-pyrimidine-2,4-dione has a molecular weight of 173.15 g/mol, XLogP of -0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-ethyl-5-fluoro-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 144763322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).