2-amino-5-bromo-N-(4,6-dimethylpyrimidin-2-yl)pyridine-3-carboxamide

C12H12BrN5O — CID 62153366

IUPAC2-amino-5-bromo-N-(4,6-dimethylpyrimidin-2-yl)pyridine-3-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2cc(Br)cnc2N)n1
InChIInChI=1S/C12H12BrN5O/c1-6-3-7(2)17-12(16-6)18-11(19)9-4-8(13)5-15-10(9)14/h3-5H,1-2H3,(H2,14,15)(H,16,17,18,19)
InChIKeyZUBJUTDXYZQSCS-UHFFFAOYSA-N
MW322.17 g/mol
LogP2.09
Rot. Bonds2

About 2-amino-5-bromo-N-(4,6-dimethylpyrimidin-2-yl)pyridine-3-carboxamide

2-amino-5-bromo-N-(4,6-dimethylpyrimidin-2-yl)pyridine-3-carboxamide (PubChem CID 62153366) has the molecular formula C12H12BrN5O and a molecular weight of 322.17 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(4,6-dimethylpyrimidin-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(4,6-dimethylpyrimidin-2-yl)pyridine-3-carboxamide
PubChem CID62153366
Molecular FormulaC12H12BrN5O
Molecular Weight322.17 g/mol
Exact Mass321.02
IUPAC Name2-amino-5-bromo-N-(4,6-dimethylpyrimidin-2-yl)pyridine-3-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2cc(Br)cnc2N)n1
InChIInChI=1S/C12H12BrN5O/c1-6-3-7(2)17-12(16-6)18-11(19)9-4-8(13)5-15-10(9)14/h3-5H,1-2H3,(H2,14,15)(H,16,17,18,19)
InChIKeyZUBJUTDXYZQSCS-UHFFFAOYSA-N
XLogP2.09
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.17
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 107962014
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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(4,6-dimethylpyrimidin-2-yl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-bromo-N-(4,6-dimethylpyrimidin-2-yl)pyridine-3-carboxamide (CID 62153366) is 2-amino-5-bromo-N-(4,6-dimethylpyrimidin-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-bromo-N-(4,6-dimethylpyrimidin-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-bromo-N-(4,6-dimethylpyrimidin-2-yl)pyridine-3-carboxamide is Cc1cc(C)nc(NC(=O)c2cc(Br)cnc2N)n1.
What is the InChIKey of 2-amino-5-bromo-N-(4,6-dimethylpyrimidin-2-yl)pyridine-3-carboxamide?
The InChIKey is ZUBJUTDXYZQSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN5O/c1-6-3-7(2)17-12(16-6)18-11(19)9-4-8(13)5-15-10(9)14/h3-5H,1-2H3,(H2,14,15)(H,16,17,18,19).
What are the key properties of 2-amino-5-bromo-N-(4,6-dimethylpyrimidin-2-yl)pyridine-3-carboxamide?
2-amino-5-bromo-N-(4,6-dimethylpyrimidin-2-yl)pyridine-3-carboxamide has a molecular weight of 322.17 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(4,6-dimethylpyrimidin-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 62153366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).