5-bromo-3-(pyrimidin-4-ylamino)-1H-pyridin-2-one

C9H7BrN4O — CID 58044075

IUPAC5-bromo-3-(pyrimidin-4-ylamino)-1H-pyridin-2-one
SMILESO=c1[nH]cc(Br)cc1Nc1ccncn1
InChIInChI=1S/C9H7BrN4O/c10-6-3-7(9(15)12-4-6)14-8-1-2-11-5-13-8/h1-5H,(H,12,15)(H,11,13,14)
InChIKeyHCOHUNBEWCZSPG-UHFFFAOYSA-N
MW267.09 g/mol
LogP1.67
Rot. Bonds2

About 5-bromo-3-(pyrimidin-4-ylamino)-1H-pyridin-2-one

5-bromo-3-(pyrimidin-4-ylamino)-1H-pyridin-2-one (PubChem CID 58044075) has the molecular formula C9H7BrN4O and a molecular weight of 267.09 g/mol. Its IUPAC name is 5-bromo-3-(pyrimidin-4-ylamino)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-bromo-3-(pyrimidin-4-ylamino)-1H-pyridin-2-one
PubChem CID58044075
Molecular FormulaC9H7BrN4O
Molecular Weight267.09 g/mol
Exact Mass265.98
IUPAC Name5-bromo-3-(pyrimidin-4-ylamino)-1H-pyridin-2-one
SMILESO=c1[nH]cc(Br)cc1Nc1ccncn1
InChIInChI=1S/C9H7BrN4O/c10-6-3-7(9(15)12-4-6)14-8-1-2-11-5-13-8/h1-5H,(H,12,15)(H,11,13,14)
InChIKeyHCOHUNBEWCZSPG-UHFFFAOYSA-N
XLogP1.67
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.09
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(pyrimidin-4-ylamino)-1H-pyridin-2-one?
The IUPAC name of 5-bromo-3-(pyrimidin-4-ylamino)-1H-pyridin-2-one (CID 58044075) is 5-bromo-3-(pyrimidin-4-ylamino)-1H-pyridin-2-one.
What is the SMILES notation for 5-bromo-3-(pyrimidin-4-ylamino)-1H-pyridin-2-one?
The canonical SMILES for 5-bromo-3-(pyrimidin-4-ylamino)-1H-pyridin-2-one is O=c1[nH]cc(Br)cc1Nc1ccncn1.
What is the InChIKey of 5-bromo-3-(pyrimidin-4-ylamino)-1H-pyridin-2-one?
The InChIKey is HCOHUNBEWCZSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN4O/c10-6-3-7(9(15)12-4-6)14-8-1-2-11-5-13-8/h1-5H,(H,12,15)(H,11,13,14).
What are the key properties of 5-bromo-3-(pyrimidin-4-ylamino)-1H-pyridin-2-one?
5-bromo-3-(pyrimidin-4-ylamino)-1H-pyridin-2-one has a molecular weight of 267.09 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(pyrimidin-4-ylamino)-1H-pyridin-2-one is sourced from PubChem (CID 58044075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).