5-[6-amino-5-fluoro-2-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one

C21H24FN7O — CID 175582421

IUPAC5-[6-amino-5-fluoro-2-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(-c2nc(-c3ccc(N4CCNCC4)cn3)nc(N)c2F)ccc1=O
InChIInChI=1S/C21H24FN7O/c1-13(2)29-12-14(3-6-17(29)30)19-18(22)20(23)27-21(26-19)16-5-4-15(11-25-16)28-9-7-24-8-10-28/h3-6,11-13,24H,7-10H2,1-2H3,(H2,23,26,27)
InChIKeyFYNXSYANNBAHRR-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.08
Rot. Bonds4

About 5-[6-amino-5-fluoro-2-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one

5-[6-amino-5-fluoro-2-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one (PubChem CID 175582421) has the molecular formula C21H24FN7O and a molecular weight of 409.47 g/mol. Its IUPAC name is 5-[6-amino-5-fluoro-2-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-[6-amino-5-fluoro-2-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one
PubChem CID175582421
Molecular FormulaC21H24FN7O
Molecular Weight409.47 g/mol
Exact Mass409.20
IUPAC Name5-[6-amino-5-fluoro-2-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(-c2nc(-c3ccc(N4CCNCC4)cn3)nc(N)c2F)ccc1=O
InChIInChI=1S/C21H24FN7O/c1-13(2)29-12-14(3-6-17(29)30)19-18(22)20(23)27-21(26-19)16-5-4-15(11-25-16)28-9-7-24-8-10-28/h3-6,11-13,24H,7-10H2,1-2H3,(H2,23,26,27)
InChIKeyFYNXSYANNBAHRR-UHFFFAOYSA-N
XLogP2.08
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[6-amino-5-fluoro-2-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one?
The IUPAC name of 5-[6-amino-5-fluoro-2-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one (CID 175582421) is 5-[6-amino-5-fluoro-2-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 5-[6-amino-5-fluoro-2-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 5-[6-amino-5-fluoro-2-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one is CC(C)n1cc(-c2nc(-c3ccc(N4CCNCC4)cn3)nc(N)c2F)ccc1=O.
What is the InChIKey of 5-[6-amino-5-fluoro-2-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one?
The InChIKey is FYNXSYANNBAHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN7O/c1-13(2)29-12-14(3-6-17(29)30)19-18(22)20(23)27-21(26-19)16-5-4-15(11-25-16)28-9-7-24-8-10-28/h3-6,11-13,24H,7-10H2,1-2H3,(H2,23,26,27).
What are the key properties of 5-[6-amino-5-fluoro-2-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one?
5-[6-amino-5-fluoro-2-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one has a molecular weight of 409.47 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-amino-5-fluoro-2-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 175582421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).