1-(3-aminopropyl)-5-fluoropyrimidine-2,4-dione

C7H10FN3O2 — CID 13459937

IUPAC1-(3-aminopropyl)-5-fluoropyrimidine-2,4-dione
SMILESNCCCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C7H10FN3O2/c8-5-4-11(3-1-2-9)7(13)10-6(5)12/h4H,1-3,9H2,(H,10,12,13)
InChIKeyAKNHCWIWZQUGDP-UHFFFAOYSA-N
MW187.17 g/mol
LogP-0.98
Rot. Bonds3

About 1-(3-aminopropyl)-5-fluoropyrimidine-2,4-dione

1-(3-aminopropyl)-5-fluoropyrimidine-2,4-dione (PubChem CID 13459937) has the molecular formula C7H10FN3O2 and a molecular weight of 187.17 g/mol. Its IUPAC name is 1-(3-aminopropyl)-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(3-aminopropyl)-5-fluoropyrimidine-2,4-dione
PubChem CID13459937
Molecular FormulaC7H10FN3O2
Molecular Weight187.17 g/mol
Exact Mass187.08
IUPAC Name1-(3-aminopropyl)-5-fluoropyrimidine-2,4-dione
SMILESNCCCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C7H10FN3O2/c8-5-4-11(3-1-2-9)7(13)10-6(5)12/h4H,1-3,9H2,(H,10,12,13)
InChIKeyAKNHCWIWZQUGDP-UHFFFAOYSA-N
XLogP-0.98
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.17
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-(3-aminopropyl)-5-fluoropyrimidine-2,4-dione (CID 13459937) is 1-(3-aminopropyl)-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-(3-aminopropyl)-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-(3-aminopropyl)-5-fluoropyrimidine-2,4-dione is NCCCn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 1-(3-aminopropyl)-5-fluoropyrimidine-2,4-dione?
The InChIKey is AKNHCWIWZQUGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3O2/c8-5-4-11(3-1-2-9)7(13)10-6(5)12/h4H,1-3,9H2,(H,10,12,13).
What are the key properties of 1-(3-aminopropyl)-5-fluoropyrimidine-2,4-dione?
1-(3-aminopropyl)-5-fluoropyrimidine-2,4-dione has a molecular weight of 187.17 g/mol, XLogP of -0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 13459937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).