5-bromo-N-(1-cyclopropylpropan-2-yl)-4-methylpyrimidin-2-amine

C11H16BrN3 — CID 130987156

IUPAC5-bromo-N-(1-cyclopropylpropan-2-yl)-4-methylpyrimidin-2-amine
SMILESCc1nc(NC(C)CC2CC2)ncc1Br
InChIInChI=1S/C11H16BrN3/c1-7(5-9-3-4-9)14-11-13-6-10(12)8(2)15-11/h6-7,9H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyQOTFGYAYBNGPRP-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.15
Rot. Bonds4

About 5-bromo-N-(1-cyclopropylpropan-2-yl)-4-methylpyrimidin-2-amine

5-bromo-N-(1-cyclopropylpropan-2-yl)-4-methylpyrimidin-2-amine (PubChem CID 130987156) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is 5-bromo-N-(1-cyclopropylpropan-2-yl)-4-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(1-cyclopropylpropan-2-yl)-4-methylpyrimidin-2-amine
PubChem CID130987156
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC Name5-bromo-N-(1-cyclopropylpropan-2-yl)-4-methylpyrimidin-2-amine
SMILESCc1nc(NC(C)CC2CC2)ncc1Br
InChIInChI=1S/C11H16BrN3/c1-7(5-9-3-4-9)14-11-13-6-10(12)8(2)15-11/h6-7,9H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyQOTFGYAYBNGPRP-UHFFFAOYSA-N
XLogP3.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-methyl-N-propan-2-ylpyrimidin-2-amine
CID 115037552
4-N-(1-cyclopropylpropan-2-yl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80839809
5-bromo-N-cyclohexyl-4-methylpyrimidin-2-amine
CID 115050366
N-(1-cyclopropylpropan-2-yl)-4-propan-2-yloxypyrimidin-2-amine
CID 112637761
5-bromo-N-[(3-chlorocyclobutyl)methyl]-4-methylpyrimidin-2-amine
CID 130821715
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-N-cyclohex-3-en-1-yl-4-methylpyrimidin-2-amine
CID 130900359
5-bromo-4-methyl-N-(oxolan-3-yl)pyrimidin-2-amine
CID 131122958
(2S)-2-[(4,5-dimethylpyrimidin-2-yl)amino]propan-1-ol
CID 130660373
3-N-(1-cyclopropylpropan-2-yl)-1H-1,2,4-triazole-3,5-diamine
CID 66276901
5-bromo-N-(4-chlorooxolan-3-yl)-4-methylpyrimidin-2-amine
CID 130854686

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-cyclopropylpropan-2-yl)-4-methylpyrimidin-2-amine?
The IUPAC name of 5-bromo-N-(1-cyclopropylpropan-2-yl)-4-methylpyrimidin-2-amine (CID 130987156) is 5-bromo-N-(1-cyclopropylpropan-2-yl)-4-methylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-(1-cyclopropylpropan-2-yl)-4-methylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-(1-cyclopropylpropan-2-yl)-4-methylpyrimidin-2-amine is Cc1nc(NC(C)CC2CC2)ncc1Br.
What is the InChIKey of 5-bromo-N-(1-cyclopropylpropan-2-yl)-4-methylpyrimidin-2-amine?
The InChIKey is QOTFGYAYBNGPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3/c1-7(5-9-3-4-9)14-11-13-6-10(12)8(2)15-11/h6-7,9H,3-5H2,1-2H3,(H,13,14,15).
What are the key properties of 5-bromo-N-(1-cyclopropylpropan-2-yl)-4-methylpyrimidin-2-amine?
5-bromo-N-(1-cyclopropylpropan-2-yl)-4-methylpyrimidin-2-amine has a molecular weight of 270.17 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-cyclopropylpropan-2-yl)-4-methylpyrimidin-2-amine is sourced from PubChem (CID 130987156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).