5-bromo-6-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine

C12H13BrN4 — CID 66300484

IUPAC5-bromo-6-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(-c2ccccn2)nc(N)c1Br
InChIInChI=1S/C12H13BrN4/c1-7(2)10-9(13)11(14)17-12(16-10)8-5-3-4-6-15-8/h3-7H,1-2H3,(H2,14,16,17)
InChIKeyMCLRJBADYSXKQL-UHFFFAOYSA-N
MW293.17 g/mol
LogP3.01
Rot. Bonds2

About 5-bromo-6-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine

5-bromo-6-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 66300484) has the molecular formula C12H13BrN4 and a molecular weight of 293.17 g/mol. Its IUPAC name is 5-bromo-6-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID66300484
Molecular FormulaC12H13BrN4
Molecular Weight293.17 g/mol
Exact Mass292.03
IUPAC Name5-bromo-6-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(-c2ccccn2)nc(N)c1Br
InChIInChI=1S/C12H13BrN4/c1-7(2)10-9(13)11(14)17-12(16-10)8-5-3-4-6-15-8/h3-7H,1-2H3,(H2,14,16,17)
InChIKeyMCLRJBADYSXKQL-UHFFFAOYSA-N
XLogP3.01
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-iodo-6-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine
CID 66300718
5-bromo-2-phenyl-6-propan-2-ylpyrimidin-4-amine
CID 66299701
5-bromo-2-(2-methylphenyl)-6-propan-2-ylpyrimidin-4-amine
CID 66301281
5-bromo-2-(1-methylpyrazol-3-yl)-6-propan-2-ylpyrimidin-4-amine
CID 66298716
4-propan-2-yl-6-pyridin-2-yl-1,3,5-triazin-2-amine
CID 63868334
5-bromo-2-(2-methyl-1,3-thiazol-4-yl)-6-propan-2-ylpyrimidin-4-amine
CID 113472428
6,7-dimethyl-4-propan-2-yl-2-pyridin-2-ylquinazoline
CID 165007028
CID 139150015
CID 139150015
5-propan-2-yl-4-pyridin-2-yl-1H-pyrazol-3-amine
CID 80521332
6-chloro-5-methyl-2-pyridin-2-ylpyrimidin-4-amine;ethane
CID 142506928
5-bromo-2-(4-fluoro-2-methylphenyl)-6-propan-2-ylpyrimidin-4-amine
CID 81277953
5-bromo-2-(4-methylsulfanylphenyl)-6-propan-2-ylpyrimidin-4-amine
CID 66297936

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine (CID 66300484) is 5-bromo-6-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine is CC(C)c1nc(-c2ccccn2)nc(N)c1Br.
What is the InChIKey of 5-bromo-6-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is MCLRJBADYSXKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4/c1-7(2)10-9(13)11(14)17-12(16-10)8-5-3-4-6-15-8/h3-7H,1-2H3,(H2,14,16,17).
What are the key properties of 5-bromo-6-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine?
5-bromo-6-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 293.17 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 66300484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).