5-bromo-4-methyl-N-propan-2-ylpyrimidin-2-amine

C8H12BrN3 — CID 115037552

IUPAC5-bromo-4-methyl-N-propan-2-ylpyrimidin-2-amine
SMILESCc1nc(NC(C)C)ncc1Br
InChIInChI=1S/C8H12BrN3/c1-5(2)11-8-10-4-7(9)6(3)12-8/h4-5H,1-3H3,(H,10,11,12)
InChIKeyBPQIKLPKJWEBRY-UHFFFAOYSA-N
MW230.11 g/mol
LogP2.37
Rot. Bonds2

About 5-bromo-4-methyl-N-propan-2-ylpyrimidin-2-amine

5-bromo-4-methyl-N-propan-2-ylpyrimidin-2-amine (PubChem CID 115037552) has the molecular formula C8H12BrN3 and a molecular weight of 230.11 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-methyl-N-propan-2-ylpyrimidin-2-amine
PubChem CID115037552
Molecular FormulaC8H12BrN3
Molecular Weight230.11 g/mol
Exact Mass229.02
IUPAC Name5-bromo-4-methyl-N-propan-2-ylpyrimidin-2-amine
SMILESCc1nc(NC(C)C)ncc1Br
InChIInChI=1S/C8H12BrN3/c1-5(2)11-8-10-4-7(9)6(3)12-8/h4-5H,1-3H3,(H,10,11,12)
InChIKeyBPQIKLPKJWEBRY-UHFFFAOYSA-N
XLogP2.37
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.11
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(5-bromo-4-methylpyrimidin-2-yl)methanesulfonamide
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N-(3-bicyclo[3.1.0]hexanyl)-5-bromo-4-methylpyrimidin-2-amine
CID 130791689
1-[(5-bromo-4-methylpyrimidin-2-yl)amino]-2-methylpropan-2-ol
CID 130821689
5-bromo-2,4-dimethylpyrimidine;ethane
CID 155723230
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CID 115038055
5-bromo-4-methyl-N-(2-methylsulfonylethyl)pyrimidin-2-amine
CID 131001543
N-(5-bromo-4-methylpyrimidin-2-yl)morpholin-4-amine
CID 131080680
5-bromo-2-butan-2-yl-4-methylpyrimidine
CID 172992257
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 5-bromo-4-methyl-N-propan-2-ylpyrimidin-2-amine (CID 115037552) is 5-bromo-4-methyl-N-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-methyl-N-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-methyl-N-propan-2-ylpyrimidin-2-amine is Cc1nc(NC(C)C)ncc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-propan-2-ylpyrimidin-2-amine?
The InChIKey is BPQIKLPKJWEBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3/c1-5(2)11-8-10-4-7(9)6(3)12-8/h4-5H,1-3H3,(H,10,11,12).
What are the key properties of 5-bromo-4-methyl-N-propan-2-ylpyrimidin-2-amine?
5-bromo-4-methyl-N-propan-2-ylpyrimidin-2-amine has a molecular weight of 230.11 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 115037552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).