5-[(5-bromopyrimidin-2-yl)amino]-1-methylpiperidin-2-one

C10H13BrN4O — CID 64669594

IUPAC5-[(5-bromopyrimidin-2-yl)amino]-1-methylpiperidin-2-one
SMILESCN1CC(Nc2ncc(Br)cn2)CCC1=O
InChIInChI=1S/C10H13BrN4O/c1-15-6-8(2-3-9(15)16)14-10-12-4-7(11)5-13-10/h4-5,8H,2-3,6H2,1H3,(H,12,13,14)
InChIKeyYWEFHSSPJYKKFP-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.27
Rot. Bonds2

About 5-[(5-bromopyrimidin-2-yl)amino]-1-methylpiperidin-2-one

5-[(5-bromopyrimidin-2-yl)amino]-1-methylpiperidin-2-one (PubChem CID 64669594) has the molecular formula C10H13BrN4O and a molecular weight of 285.14 g/mol. Its IUPAC name is 5-[(5-bromopyrimidin-2-yl)amino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[(5-bromopyrimidin-2-yl)amino]-1-methylpiperidin-2-one
PubChem CID64669594
Molecular FormulaC10H13BrN4O
Molecular Weight285.14 g/mol
Exact Mass284.03
IUPAC Name5-[(5-bromopyrimidin-2-yl)amino]-1-methylpiperidin-2-one
SMILESCN1CC(Nc2ncc(Br)cn2)CCC1=O
InChIInChI=1S/C10H13BrN4O/c1-15-6-8(2-3-9(15)16)14-10-12-4-7(11)5-13-10/h4-5,8H,2-3,6H2,1H3,(H,12,13,14)
InChIKeyYWEFHSSPJYKKFP-UHFFFAOYSA-N
XLogP1.27
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromopyrimidin-2-yl)amino]-1-methylpiperidin-2-one?
The IUPAC name of 5-[(5-bromopyrimidin-2-yl)amino]-1-methylpiperidin-2-one (CID 64669594) is 5-[(5-bromopyrimidin-2-yl)amino]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[(5-bromopyrimidin-2-yl)amino]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[(5-bromopyrimidin-2-yl)amino]-1-methylpiperidin-2-one is CN1CC(Nc2ncc(Br)cn2)CCC1=O.
What is the InChIKey of 5-[(5-bromopyrimidin-2-yl)amino]-1-methylpiperidin-2-one?
The InChIKey is YWEFHSSPJYKKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4O/c1-15-6-8(2-3-9(15)16)14-10-12-4-7(11)5-13-10/h4-5,8H,2-3,6H2,1H3,(H,12,13,14).
What are the key properties of 5-[(5-bromopyrimidin-2-yl)amino]-1-methylpiperidin-2-one?
5-[(5-bromopyrimidin-2-yl)amino]-1-methylpiperidin-2-one has a molecular weight of 285.14 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromopyrimidin-2-yl)amino]-1-methylpiperidin-2-one is sourced from PubChem (CID 64669594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).