5-bromo-2-[cyclopropyl(methoxy)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine

C13H20BrN3O — CID 116729630

IUPAC5-bromo-2-[cyclopropyl(methoxy)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(C(OC)C2CC2)nc(C(C)C)c1Br
InChIInChI=1S/C13H20BrN3O/c1-7(2)10-9(14)12(15-3)17-13(16-10)11(18-4)8-5-6-8/h7-8,11H,5-6H2,1-4H3,(H,15,16,17)
InChIKeyZQJNUGHQASKGPY-UHFFFAOYSA-N
MW314.23 g/mol
LogP3.50
Rot. Bonds5

About 5-bromo-2-[cyclopropyl(methoxy)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine

5-bromo-2-[cyclopropyl(methoxy)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine (PubChem CID 116729630) has the molecular formula C13H20BrN3O and a molecular weight of 314.23 g/mol. Its IUPAC name is 5-bromo-2-[cyclopropyl(methoxy)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-[cyclopropyl(methoxy)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine
PubChem CID116729630
Molecular FormulaC13H20BrN3O
Molecular Weight314.23 g/mol
Exact Mass313.08
IUPAC Name5-bromo-2-[cyclopropyl(methoxy)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(C(OC)C2CC2)nc(C(C)C)c1Br
InChIInChI=1S/C13H20BrN3O/c1-7(2)10-9(14)12(15-3)17-13(16-10)11(18-4)8-5-6-8/h7-8,11H,5-6H2,1-4H3,(H,15,16,17)
InChIKeyZQJNUGHQASKGPY-UHFFFAOYSA-N
XLogP3.50
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-[cyclohexyl(methoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 116776477
2-[cyclopropyl(methoxy)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 116729350
3-[cyclopropyl(methoxy)methyl]-N-methyl-1,2,4-oxadiazol-5-amine
CID 116730884
5-bromo-2-cycloheptyl-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 66300892
5-bromo-2-[cyclopropyl(methoxy)methyl]-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 116730005
2-[cyclohexyl(methoxy)methyl]-6-ethyl-N,5-dimethylpyrimidin-4-amine
CID 116776346
2-[cyclopropyl(ethoxy)methyl]-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 116729687
5-bromo-2-(4-cyclopropylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 79972059
5-bromo-N-methyl-6-propan-2-yl-2-(thian-2-yl)pyrimidin-4-amine
CID 80636691
6-tert-butyl-2-[cyclopropyl(methoxy)methyl]-N-ethyl-5-iodopyrimidin-4-amine
CID 116729525
2-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 116703517
5-bromo-N-methyl-2-(3-methylbutyl)-6-propan-2-ylpyrimidin-4-amine
CID 66300692

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[cyclopropyl(methoxy)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-[cyclopropyl(methoxy)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine (CID 116729630) is 5-bromo-2-[cyclopropyl(methoxy)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-[cyclopropyl(methoxy)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-[cyclopropyl(methoxy)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine is CNc1nc(C(OC)C2CC2)nc(C(C)C)c1Br.
What is the InChIKey of 5-bromo-2-[cyclopropyl(methoxy)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is ZQJNUGHQASKGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O/c1-7(2)10-9(14)12(15-3)17-13(16-10)11(18-4)8-5-6-8/h7-8,11H,5-6H2,1-4H3,(H,15,16,17).
What are the key properties of 5-bromo-2-[cyclopropyl(methoxy)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine?
5-bromo-2-[cyclopropyl(methoxy)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 314.23 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[cyclopropyl(methoxy)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 116729630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).