4-amino-5-fluoro-1-(methylamino)pyrimidin-2-one

C5H7FN4O — CID 123875300

IUPAC4-amino-5-fluoro-1-(methylamino)pyrimidin-2-one
SMILESCNn1cc(F)c(N)nc1=O
InChIInChI=1S/C5H7FN4O/c1-8-10-2-3(6)4(7)9-5(10)11/h2,8H,1H3,(H2,7,9,11)
InChIKeyKHZJHVOXHRRSHB-UHFFFAOYSA-N
MW158.14 g/mol
LogP-0.86
Rot. Bonds1

About 4-amino-5-fluoro-1-(methylamino)pyrimidin-2-one

4-amino-5-fluoro-1-(methylamino)pyrimidin-2-one (PubChem CID 123875300) has the molecular formula C5H7FN4O and a molecular weight of 158.14 g/mol. Its IUPAC name is 4-amino-5-fluoro-1-(methylamino)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-fluoro-1-(methylamino)pyrimidin-2-one
PubChem CID123875300
Molecular FormulaC5H7FN4O
Molecular Weight158.14 g/mol
Exact Mass158.06
IUPAC Name4-amino-5-fluoro-1-(methylamino)pyrimidin-2-one
SMILESCNn1cc(F)c(N)nc1=O
InChIInChI=1S/C5H7FN4O/c1-8-10-2-3(6)4(7)9-5(10)11/h2,8H,1H3,(H2,7,9,11)
InChIKeyKHZJHVOXHRRSHB-UHFFFAOYSA-N
XLogP-0.86
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.14
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoro-1-(methylamino)pyrimidin-2-one?
The IUPAC name of 4-amino-5-fluoro-1-(methylamino)pyrimidin-2-one (CID 123875300) is 4-amino-5-fluoro-1-(methylamino)pyrimidin-2-one.
What is the SMILES notation for 4-amino-5-fluoro-1-(methylamino)pyrimidin-2-one?
The canonical SMILES for 4-amino-5-fluoro-1-(methylamino)pyrimidin-2-one is CNn1cc(F)c(N)nc1=O.
What is the InChIKey of 4-amino-5-fluoro-1-(methylamino)pyrimidin-2-one?
The InChIKey is KHZJHVOXHRRSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN4O/c1-8-10-2-3(6)4(7)9-5(10)11/h2,8H,1H3,(H2,7,9,11).
What are the key properties of 4-amino-5-fluoro-1-(methylamino)pyrimidin-2-one?
4-amino-5-fluoro-1-(methylamino)pyrimidin-2-one has a molecular weight of 158.14 g/mol, XLogP of -0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluoro-1-(methylamino)pyrimidin-2-one is sourced from PubChem (CID 123875300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).