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

C10H9BrN4O — CID 58044094

IUPAC5-bromo-1-methyl-3-(pyrimidin-4-ylamino)pyridin-2-one
SMILESCn1cc(Br)cc(Nc2ccncn2)c1=O
InChIInChI=1S/C10H9BrN4O/c1-15-5-7(11)4-8(10(15)16)14-9-2-3-12-6-13-9/h2-6H,1H3,(H,12,13,14)
InChIKeyKSMAGFGRTLPTFE-UHFFFAOYSA-N
MW281.11 g/mol
LogP1.68
Rot. Bonds2

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

5-bromo-1-methyl-3-(pyrimidin-4-ylamino)pyridin-2-one (PubChem CID 58044094) has the molecular formula C10H9BrN4O and a molecular weight of 281.11 g/mol. Its IUPAC name is 5-bromo-1-methyl-3-(pyrimidin-4-ylamino)pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-methyl-3-(pyrimidin-4-ylamino)pyridin-2-one
PubChem CID58044094
Molecular FormulaC10H9BrN4O
Molecular Weight281.11 g/mol
Exact Mass280.00
IUPAC Name5-bromo-1-methyl-3-(pyrimidin-4-ylamino)pyridin-2-one
SMILESCn1cc(Br)cc(Nc2ccncn2)c1=O
InChIInChI=1S/C10H9BrN4O/c1-15-5-7(11)4-8(10(15)16)14-9-2-3-12-6-13-9/h2-6H,1H3,(H,12,13,14)
InChIKeyKSMAGFGRTLPTFE-UHFFFAOYSA-N
XLogP1.68
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-3-(pyrimidin-4-ylamino)pyridin-2-one?
The IUPAC name of 5-bromo-1-methyl-3-(pyrimidin-4-ylamino)pyridin-2-one (CID 58044094) is 5-bromo-1-methyl-3-(pyrimidin-4-ylamino)pyridin-2-one.
What is the SMILES notation for 5-bromo-1-methyl-3-(pyrimidin-4-ylamino)pyridin-2-one?
The canonical SMILES for 5-bromo-1-methyl-3-(pyrimidin-4-ylamino)pyridin-2-one is Cn1cc(Br)cc(Nc2ccncn2)c1=O.
What is the InChIKey of 5-bromo-1-methyl-3-(pyrimidin-4-ylamino)pyridin-2-one?
The InChIKey is KSMAGFGRTLPTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O/c1-15-5-7(11)4-8(10(15)16)14-9-2-3-12-6-13-9/h2-6H,1H3,(H,12,13,14).
What are the key properties of 5-bromo-1-methyl-3-(pyrimidin-4-ylamino)pyridin-2-one?
5-bromo-1-methyl-3-(pyrimidin-4-ylamino)pyridin-2-one has a molecular weight of 281.11 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-3-(pyrimidin-4-ylamino)pyridin-2-one is sourced from PubChem (CID 58044094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).