1-(aminomethyl)-5-fluoropyrimidine-2,4-dione

C5H6FN3O2 — CID 118528156

IUPAC1-(aminomethyl)-5-fluoropyrimidine-2,4-dione
SMILESNCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C5H6FN3O2/c6-3-1-9(2-7)5(11)8-4(3)10/h1H,2,7H2,(H,8,10,11)
InChIKeyUQYORSJZJNLPHR-UHFFFAOYSA-N
MW159.12 g/mol
LogP-1.41
Rot. Bonds1

About 1-(aminomethyl)-5-fluoropyrimidine-2,4-dione

1-(aminomethyl)-5-fluoropyrimidine-2,4-dione (PubChem CID 118528156) has the molecular formula C5H6FN3O2 and a molecular weight of 159.12 g/mol. Its IUPAC name is 1-(aminomethyl)-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(aminomethyl)-5-fluoropyrimidine-2,4-dione
PubChem CID118528156
Molecular FormulaC5H6FN3O2
Molecular Weight159.12 g/mol
Exact Mass159.04
IUPAC Name1-(aminomethyl)-5-fluoropyrimidine-2,4-dione
SMILESNCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C5H6FN3O2/c6-3-1-9(2-7)5(11)8-4(3)10/h1H,2,7H2,(H,8,10,11)
InChIKeyUQYORSJZJNLPHR-UHFFFAOYSA-N
XLogP-1.41
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.12
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-(aminomethyl)-5-fluoropyrimidine-2,4-dione (CID 118528156) is 1-(aminomethyl)-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-(aminomethyl)-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-(aminomethyl)-5-fluoropyrimidine-2,4-dione is NCn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 1-(aminomethyl)-5-fluoropyrimidine-2,4-dione?
The InChIKey is UQYORSJZJNLPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN3O2/c6-3-1-9(2-7)5(11)8-4(3)10/h1H,2,7H2,(H,8,10,11).
What are the key properties of 1-(aminomethyl)-5-fluoropyrimidine-2,4-dione?
1-(aminomethyl)-5-fluoropyrimidine-2,4-dione has a molecular weight of 159.12 g/mol, XLogP of -1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 118528156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).