3-[(5-bromopyrimidin-2-yl)amino]-1-(2-fluorophenyl)piperidin-2-one

C15H14BrFN4O — CID 138995461

IUPAC3-[(5-bromopyrimidin-2-yl)amino]-1-(2-fluorophenyl)piperidin-2-one
SMILESO=C1C(Nc2ncc(Br)cn2)CCCN1c1ccccc1F
InChIInChI=1S/C15H14BrFN4O/c16-10-8-18-15(19-9-10)20-12-5-3-7-21(14(12)22)13-6-2-1-4-11(13)17/h1-2,4,6,8-9,12H,3,5,7H2,(H,18,19,20)
InChIKeyVRTMKIPNJPXCFA-UHFFFAOYSA-N
MW365.21 g/mol
LogP2.99
Rot. Bonds3

About 3-[(5-bromopyrimidin-2-yl)amino]-1-(2-fluorophenyl)piperidin-2-one

3-[(5-bromopyrimidin-2-yl)amino]-1-(2-fluorophenyl)piperidin-2-one (PubChem CID 138995461) has the molecular formula C15H14BrFN4O and a molecular weight of 365.21 g/mol. Its IUPAC name is 3-[(5-bromopyrimidin-2-yl)amino]-1-(2-fluorophenyl)piperidin-2-one.

Molecular Properties

Compound Name3-[(5-bromopyrimidin-2-yl)amino]-1-(2-fluorophenyl)piperidin-2-one
PubChem CID138995461
Molecular FormulaC15H14BrFN4O
Molecular Weight365.21 g/mol
Exact Mass364.03
IUPAC Name3-[(5-bromopyrimidin-2-yl)amino]-1-(2-fluorophenyl)piperidin-2-one
SMILESO=C1C(Nc2ncc(Br)cn2)CCCN1c1ccccc1F
InChIInChI=1S/C15H14BrFN4O/c16-10-8-18-15(19-9-10)20-12-5-3-7-21(14(12)22)13-6-2-1-4-11(13)17/h1-2,4,6,8-9,12H,3,5,7H2,(H,18,19,20)
InChIKeyVRTMKIPNJPXCFA-UHFFFAOYSA-N
XLogP2.99
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.21
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromopyrimidin-2-yl)amino]-1-(2-fluorophenyl)piperidin-2-one?
The IUPAC name of 3-[(5-bromopyrimidin-2-yl)amino]-1-(2-fluorophenyl)piperidin-2-one (CID 138995461) is 3-[(5-bromopyrimidin-2-yl)amino]-1-(2-fluorophenyl)piperidin-2-one.
What is the SMILES notation for 3-[(5-bromopyrimidin-2-yl)amino]-1-(2-fluorophenyl)piperidin-2-one?
The canonical SMILES for 3-[(5-bromopyrimidin-2-yl)amino]-1-(2-fluorophenyl)piperidin-2-one is O=C1C(Nc2ncc(Br)cn2)CCCN1c1ccccc1F.
What is the InChIKey of 3-[(5-bromopyrimidin-2-yl)amino]-1-(2-fluorophenyl)piperidin-2-one?
The InChIKey is VRTMKIPNJPXCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN4O/c16-10-8-18-15(19-9-10)20-12-5-3-7-21(14(12)22)13-6-2-1-4-11(13)17/h1-2,4,6,8-9,12H,3,5,7H2,(H,18,19,20).
What are the key properties of 3-[(5-bromopyrimidin-2-yl)amino]-1-(2-fluorophenyl)piperidin-2-one?
3-[(5-bromopyrimidin-2-yl)amino]-1-(2-fluorophenyl)piperidin-2-one has a molecular weight of 365.21 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromopyrimidin-2-yl)amino]-1-(2-fluorophenyl)piperidin-2-one is sourced from PubChem (CID 138995461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).