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

C11H11BrN4O — CID 75482157

IUPAC1-[2-[(5-bromopyrimidin-2-yl)amino]ethyl]pyridin-2-one
SMILESO=c1ccccn1CCNc1ncc(Br)cn1
InChIInChI=1S/C11H11BrN4O/c12-9-7-14-11(15-8-9)13-4-6-16-5-2-1-3-10(16)17/h1-3,5,7-8H,4,6H2,(H,13,14,15)
InChIKeyRFAXAPVBKONJIH-UHFFFAOYSA-N
MW295.14 g/mol
LogP1.51
Rot. Bonds4

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

1-[2-[(5-bromopyrimidin-2-yl)amino]ethyl]pyridin-2-one (PubChem CID 75482157) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is 1-[2-[(5-bromopyrimidin-2-yl)amino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[(5-bromopyrimidin-2-yl)amino]ethyl]pyridin-2-one
PubChem CID75482157
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name1-[2-[(5-bromopyrimidin-2-yl)amino]ethyl]pyridin-2-one
SMILESO=c1ccccn1CCNc1ncc(Br)cn1
InChIInChI=1S/C11H11BrN4O/c12-9-7-14-11(15-8-9)13-4-6-16-5-2-1-3-10(16)17/h1-3,5,7-8H,4,6H2,(H,13,14,15)
InChIKeyRFAXAPVBKONJIH-UHFFFAOYSA-N
XLogP1.51
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[(5-bromopyrimidin-2-yl)amino]ethyl]pyridin-2-one with MolForge

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Related Compounds

5-Bromo-2-(1H-pyridin-2-one)pyrimidine
CID 124702284
4-(5-bromopyrimidin-2-yl)-N-butylpiperazine-1-carboxamide
CID 2802473
6-methyl-2-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]-1H-pyridine-3-carboxamide
CID 72049332
1-[(4-Aminopyrimidin-2-yl)methyl]-5-bromo-3-methylpyridin-2-one
CID 100666691
1-[[2-Amino-4-(butylamino)pyrimidin-5-yl]methyl]-3-fluoropyridin-2-one
CID 121288798
3-(Tert-butylamino)-1-(5-fluoropyrimidin-2-yl)pyridin-2-one
CID 172185342
2-[4-(5-Bromopyrimidin-2-yl)piperazin-1-yl]-6-(difluoromethyl)-3,4-dihydropyrimidin-4-one
CID 163343945
5-[4-(5-bromo-6-fluoropyrimidin-4-yl)piperazin-1-yl]-1H-pyridin-2-one
CID 166307150
6-[4-(5-Fluoropyrimidin-2-yl)piperazin-1-yl]-1,2-dihydropyridin-2-one
CID 171326725
6-[4-(5-Fluoropyrimidin-4-yl)piperazin-1-yl]-1,2-dihydropyridin-2-one
CID 171326726
2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide
CID 47048563
N-[2-(5-Bromo-2-chloropyrimidin-4-ylamino)ethyl]acetamide
CID 21081020

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-bromopyrimidin-2-yl)amino]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[(5-bromopyrimidin-2-yl)amino]ethyl]pyridin-2-one (CID 75482157) is 1-[2-[(5-bromopyrimidin-2-yl)amino]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[(5-bromopyrimidin-2-yl)amino]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[(5-bromopyrimidin-2-yl)amino]ethyl]pyridin-2-one is O=c1ccccn1CCNc1ncc(Br)cn1.
What is the InChIKey of 1-[2-[(5-bromopyrimidin-2-yl)amino]ethyl]pyridin-2-one?
The InChIKey is RFAXAPVBKONJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/c12-9-7-14-11(15-8-9)13-4-6-16-5-2-1-3-10(16)17/h1-3,5,7-8H,4,6H2,(H,13,14,15).
What are the key properties of 1-[2-[(5-bromopyrimidin-2-yl)amino]ethyl]pyridin-2-one?
1-[2-[(5-bromopyrimidin-2-yl)amino]ethyl]pyridin-2-one has a molecular weight of 295.14 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-bromopyrimidin-2-yl)amino]ethyl]pyridin-2-one is sourced from PubChem (CID 75482157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).