4-amino-5-fluoro-1-propan-2-ylpyrimidin-2-one

C7H10FN3O — CID 20587506

IUPAC4-amino-5-fluoro-1-propan-2-ylpyrimidin-2-one
SMILESCC(C)n1cc(F)c(N)nc1=O
InChIInChI=1S/C7H10FN3O/c1-4(2)11-3-5(8)6(9)10-7(11)12/h3-4H,1-2H3,(H2,9,10,12)
InChIKeyGOKYCAKHSOTPTL-UHFFFAOYSA-N
MW171.17 g/mol
LogP0.55
Rot. Bonds1

About 4-amino-5-fluoro-1-propan-2-ylpyrimidin-2-one

4-amino-5-fluoro-1-propan-2-ylpyrimidin-2-one (PubChem CID 20587506) has the molecular formula C7H10FN3O and a molecular weight of 171.17 g/mol. Its IUPAC name is 4-amino-5-fluoro-1-propan-2-ylpyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-fluoro-1-propan-2-ylpyrimidin-2-one
PubChem CID20587506
Molecular FormulaC7H10FN3O
Molecular Weight171.17 g/mol
Exact Mass171.08
IUPAC Name4-amino-5-fluoro-1-propan-2-ylpyrimidin-2-one
SMILESCC(C)n1cc(F)c(N)nc1=O
InChIInChI=1S/C7H10FN3O/c1-4(2)11-3-5(8)6(9)10-7(11)12/h3-4H,1-2H3,(H2,9,10,12)
InChIKeyGOKYCAKHSOTPTL-UHFFFAOYSA-N
XLogP0.55
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.17
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoro-1-propan-2-ylpyrimidin-2-one?
The IUPAC name of 4-amino-5-fluoro-1-propan-2-ylpyrimidin-2-one (CID 20587506) is 4-amino-5-fluoro-1-propan-2-ylpyrimidin-2-one.
What is the SMILES notation for 4-amino-5-fluoro-1-propan-2-ylpyrimidin-2-one?
The canonical SMILES for 4-amino-5-fluoro-1-propan-2-ylpyrimidin-2-one is CC(C)n1cc(F)c(N)nc1=O.
What is the InChIKey of 4-amino-5-fluoro-1-propan-2-ylpyrimidin-2-one?
The InChIKey is GOKYCAKHSOTPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3O/c1-4(2)11-3-5(8)6(9)10-7(11)12/h3-4H,1-2H3,(H2,9,10,12).
What are the key properties of 4-amino-5-fluoro-1-propan-2-ylpyrimidin-2-one?
4-amino-5-fluoro-1-propan-2-ylpyrimidin-2-one has a molecular weight of 171.17 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluoro-1-propan-2-ylpyrimidin-2-one is sourced from PubChem (CID 20587506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).