4-amino-1-(1-aminoethyl)-5-fluoropyrimidin-2-one

C6H9FN4O — CID 148673638

IUPAC4-amino-1-(1-aminoethyl)-5-fluoropyrimidin-2-one
SMILESCC(N)n1cc(F)c(N)nc1=O
InChIInChI=1S/C6H9FN4O/c1-3(8)11-2-4(7)5(9)10-6(11)12/h2-3H,8H2,1H3,(H2,9,10,12)
InChIKeyNQEZIXBPNDQHDT-UHFFFAOYSA-N
MW172.16 g/mol
LogP-0.56
Rot. Bonds1

About 4-amino-1-(1-aminoethyl)-5-fluoropyrimidin-2-one

4-amino-1-(1-aminoethyl)-5-fluoropyrimidin-2-one (PubChem CID 148673638) has the molecular formula C6H9FN4O and a molecular weight of 172.16 g/mol. Its IUPAC name is 4-amino-1-(1-aminoethyl)-5-fluoropyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-(1-aminoethyl)-5-fluoropyrimidin-2-one
PubChem CID148673638
Molecular FormulaC6H9FN4O
Molecular Weight172.16 g/mol
Exact Mass172.08
IUPAC Name4-amino-1-(1-aminoethyl)-5-fluoropyrimidin-2-one
SMILESCC(N)n1cc(F)c(N)nc1=O
InChIInChI=1S/C6H9FN4O/c1-3(8)11-2-4(7)5(9)10-6(11)12/h2-3H,8H2,1H3,(H2,9,10,12)
InChIKeyNQEZIXBPNDQHDT-UHFFFAOYSA-N
XLogP-0.56
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.16
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(1-aminoethyl)-5-fluoropyrimidin-2-one?
The IUPAC name of 4-amino-1-(1-aminoethyl)-5-fluoropyrimidin-2-one (CID 148673638) is 4-amino-1-(1-aminoethyl)-5-fluoropyrimidin-2-one.
What is the SMILES notation for 4-amino-1-(1-aminoethyl)-5-fluoropyrimidin-2-one?
The canonical SMILES for 4-amino-1-(1-aminoethyl)-5-fluoropyrimidin-2-one is CC(N)n1cc(F)c(N)nc1=O.
What is the InChIKey of 4-amino-1-(1-aminoethyl)-5-fluoropyrimidin-2-one?
The InChIKey is NQEZIXBPNDQHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN4O/c1-3(8)11-2-4(7)5(9)10-6(11)12/h2-3H,8H2,1H3,(H2,9,10,12).
What are the key properties of 4-amino-1-(1-aminoethyl)-5-fluoropyrimidin-2-one?
4-amino-1-(1-aminoethyl)-5-fluoropyrimidin-2-one has a molecular weight of 172.16 g/mol, XLogP of -0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(1-aminoethyl)-5-fluoropyrimidin-2-one is sourced from PubChem (CID 148673638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).