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

C11H9BrN4O — CID 157051762

IUPAC2-[(5-bromopyrimidin-2-yl)amino]-1-pyridin-2-ylethanone
SMILESO=C(CNc1ncc(Br)cn1)c1ccccn1
InChIInChI=1S/C11H9BrN4O/c12-8-5-14-11(15-6-8)16-7-10(17)9-3-1-2-4-13-9/h1-6H,7H2,(H,14,15,16)
InChIKeyZNYYUGXPSNKZDC-UHFFFAOYSA-N
MW293.12 g/mol
LogP1.93
Rot. Bonds4

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

2-[(5-bromopyrimidin-2-yl)amino]-1-pyridin-2-ylethanone (PubChem CID 157051762) has the molecular formula C11H9BrN4O and a molecular weight of 293.12 g/mol. Its IUPAC name is 2-[(5-bromopyrimidin-2-yl)amino]-1-pyridin-2-ylethanone.

Molecular Properties

Compound Name2-[(5-bromopyrimidin-2-yl)amino]-1-pyridin-2-ylethanone
PubChem CID157051762
Molecular FormulaC11H9BrN4O
Molecular Weight293.12 g/mol
Exact Mass292.00
IUPAC Name2-[(5-bromopyrimidin-2-yl)amino]-1-pyridin-2-ylethanone
SMILESO=C(CNc1ncc(Br)cn1)c1ccccn1
InChIInChI=1S/C11H9BrN4O/c12-8-5-14-11(15-6-8)16-7-10(17)9-3-1-2-4-13-9/h1-6H,7H2,(H,14,15,16)
InChIKeyZNYYUGXPSNKZDC-UHFFFAOYSA-N
XLogP1.93
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.12
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(5-bromo-3-chloro-2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;2-[(5-bromopyrimidin-2-yl)amino]-1-pyridin-2-ylethanone;3-[[2-(2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;6-methyl-3-[(2-oxo-2-pyridin-2-ylethyl)amino]-4H-1,2,4-triazin-5-one
CID 162024485
1-(5-bromo-3-chloro-2-hydroxyphenyl)-2-[(5-bromopyrimidin-2-yl)amino]ethanone;3-[[2-(5-bromo-3-chloro-2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;2-[(5-bromopyrimidin-2-yl)amino]-1-(2-hydroxyphenyl)ethanone;2-[(5-bromopyrimidin-2-yl)amino]-1-pyridin-2-ylethanone;3-[[2-(2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;6-methyl-3-[(2-oxo-2-pyridin-2-ylethyl)amino]-4H-1,2,4-triazin-5-one
CID 161224001
1-(5-bromo-3-chloro-2-hydroxyphenyl)-2-[(5-bromopyrimidin-2-yl)amino]ethanone;3-[[2-(5-bromo-3-chloro-2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;2-[(5-bromopyrimidin-2-yl)amino]-1-(3-chloro-2-hydroxyphenyl)ethanone;2-[(5-bromopyrimidin-2-yl)amino]-1-pyridin-2-ylethanone;3-[[2-(2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;6-methyl-3-[(2-oxo-2-pyridin-2-ylethyl)amino]-4H-1,2,4-triazin-5-one
CID 159159565
1-pyridin-2-yl-2-(quinolin-2-ylamino)ethanone
CID 157051768
1-pyridin-2-ylbutane-1,3-dione
CID 12707221
1-phenyl-5-pyridin-2-ylpentane-1,3,5-trione
CID 117060151
3-hydroxy-3-methyl-1-pyridin-2-ylbutan-1-one
CID 175849018
3-amino-1-pyridin-2-ylpropan-1-one
CID 45079500
4,4-dimethyl-1-pyridin-2-ylpentan-1-one
CID 62620197
3-anilino-1-pyridin-2-ylpropan-1-one
CID 12523109
3-oxo-3-pyridin-2-ylpropanal
CID 22486385
4-methyl-1-pyridin-2-ylpentane-1,3-dione
CID 63319425

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromopyrimidin-2-yl)amino]-1-pyridin-2-ylethanone?
The IUPAC name of 2-[(5-bromopyrimidin-2-yl)amino]-1-pyridin-2-ylethanone (CID 157051762) is 2-[(5-bromopyrimidin-2-yl)amino]-1-pyridin-2-ylethanone.
What is the SMILES notation for 2-[(5-bromopyrimidin-2-yl)amino]-1-pyridin-2-ylethanone?
The canonical SMILES for 2-[(5-bromopyrimidin-2-yl)amino]-1-pyridin-2-ylethanone is O=C(CNc1ncc(Br)cn1)c1ccccn1.
What is the InChIKey of 2-[(5-bromopyrimidin-2-yl)amino]-1-pyridin-2-ylethanone?
The InChIKey is ZNYYUGXPSNKZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4O/c12-8-5-14-11(15-6-8)16-7-10(17)9-3-1-2-4-13-9/h1-6H,7H2,(H,14,15,16).
What are the key properties of 2-[(5-bromopyrimidin-2-yl)amino]-1-pyridin-2-ylethanone?
2-[(5-bromopyrimidin-2-yl)amino]-1-pyridin-2-ylethanone has a molecular weight of 293.12 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromopyrimidin-2-yl)amino]-1-pyridin-2-ylethanone is sourced from PubChem (CID 157051762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).