4-amino-2-(5-bromo-2-pyridinyl)-5-methyl-1H-pyrimidin-6-one

C10H9BrN4O — CID 136715399

IUPAC4-amino-2-(5-bromo-2-pyridinyl)-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(N)nc(-c2ccc(Br)cn2)[nH]c1=O
InChIInChI=1S/C10H9BrN4O/c1-5-8(12)14-9(15-10(5)16)7-3-2-6(11)4-13-7/h2-4H,1H3,(H3,12,14,15,16)
InChIKeyIRSSUONNANOWLA-UHFFFAOYSA-N
MW281.11 g/mol
LogP1.49
Rot. Bonds1

About 4-amino-2-(5-bromo-2-pyridinyl)-5-methyl-1H-pyrimidin-6-one

4-amino-2-(5-bromo-2-pyridinyl)-5-methyl-1H-pyrimidin-6-one (PubChem CID 136715399) has the molecular formula C10H9BrN4O and a molecular weight of 281.11 g/mol. Its IUPAC name is 4-amino-2-(5-bromo-2-pyridinyl)-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-(5-bromo-2-pyridinyl)-5-methyl-1H-pyrimidin-6-one
PubChem CID136715399
Molecular FormulaC10H9BrN4O
Molecular Weight281.11 g/mol
Exact Mass280.00
IUPAC Name4-amino-2-(5-bromo-2-pyridinyl)-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(N)nc(-c2ccc(Br)cn2)[nH]c1=O
InChIInChI=1S/C10H9BrN4O/c1-5-8(12)14-9(15-10(5)16)7-3-2-6(11)4-13-7/h2-4H,1H3,(H3,12,14,15,16)
InChIKeyIRSSUONNANOWLA-UHFFFAOYSA-N
XLogP1.49
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(5-bromo-2-pyridinyl)-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-(5-bromo-2-pyridinyl)-5-methyl-1H-pyrimidin-6-one (CID 136715399) is 4-amino-2-(5-bromo-2-pyridinyl)-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-(5-bromo-2-pyridinyl)-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(5-bromo-2-pyridinyl)-5-methyl-1H-pyrimidin-6-one is Cc1c(N)nc(-c2ccc(Br)cn2)[nH]c1=O.
What is the InChIKey of 4-amino-2-(5-bromo-2-pyridinyl)-5-methyl-1H-pyrimidin-6-one?
The InChIKey is IRSSUONNANOWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O/c1-5-8(12)14-9(15-10(5)16)7-3-2-6(11)4-13-7/h2-4H,1H3,(H3,12,14,15,16).
What are the key properties of 4-amino-2-(5-bromo-2-pyridinyl)-5-methyl-1H-pyrimidin-6-one?
4-amino-2-(5-bromo-2-pyridinyl)-5-methyl-1H-pyrimidin-6-one has a molecular weight of 281.11 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(5-bromo-2-pyridinyl)-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136715399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).