5-amino-3-(2-fluoroethyl)-1-propylpyrimidine-2,4-dione

C9H14FN3O2 — CID 80695034

IUPAC5-amino-3-(2-fluoroethyl)-1-propylpyrimidine-2,4-dione
SMILESCCCn1cc(N)c(=O)n(CCF)c1=O
InChIInChI=1S/C9H14FN3O2/c1-2-4-12-6-7(11)8(14)13(5-3-10)9(12)15/h6H,2-5,11H2,1H3
InChIKeyJPLIJXDAXOJBFQ-UHFFFAOYSA-N
MW215.23 g/mol
LogP-0.03
Rot. Bonds4

About 5-amino-3-(2-fluoroethyl)-1-propylpyrimidine-2,4-dione

5-amino-3-(2-fluoroethyl)-1-propylpyrimidine-2,4-dione (PubChem CID 80695034) has the molecular formula C9H14FN3O2 and a molecular weight of 215.23 g/mol. Its IUPAC name is 5-amino-3-(2-fluoroethyl)-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-3-(2-fluoroethyl)-1-propylpyrimidine-2,4-dione
PubChem CID80695034
Molecular FormulaC9H14FN3O2
Molecular Weight215.23 g/mol
Exact Mass215.11
IUPAC Name5-amino-3-(2-fluoroethyl)-1-propylpyrimidine-2,4-dione
SMILESCCCn1cc(N)c(=O)n(CCF)c1=O
InChIInChI=1S/C9H14FN3O2/c1-2-4-12-6-7(11)8(14)13(5-3-10)9(12)15/h6H,2-5,11H2,1H3
InChIKeyJPLIJXDAXOJBFQ-UHFFFAOYSA-N
XLogP-0.03
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(2-fluoroethyl)-1-propylpyrimidine-2,4-dione?
The IUPAC name of 5-amino-3-(2-fluoroethyl)-1-propylpyrimidine-2,4-dione (CID 80695034) is 5-amino-3-(2-fluoroethyl)-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-3-(2-fluoroethyl)-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 5-amino-3-(2-fluoroethyl)-1-propylpyrimidine-2,4-dione is CCCn1cc(N)c(=O)n(CCF)c1=O.
What is the InChIKey of 5-amino-3-(2-fluoroethyl)-1-propylpyrimidine-2,4-dione?
The InChIKey is JPLIJXDAXOJBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O2/c1-2-4-12-6-7(11)8(14)13(5-3-10)9(12)15/h6H,2-5,11H2,1H3.
What are the key properties of 5-amino-3-(2-fluoroethyl)-1-propylpyrimidine-2,4-dione?
5-amino-3-(2-fluoroethyl)-1-propylpyrimidine-2,4-dione has a molecular weight of 215.23 g/mol, XLogP of -0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(2-fluoroethyl)-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 80695034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).