5-bromo-4-(2-methylpropoxy)pyrimidin-2-amine

C8H12BrN3O — CID 80859676

IUPAC5-bromo-4-(2-methylpropoxy)pyrimidin-2-amine
SMILESCC(C)COc1nc(N)ncc1Br
InChIInChI=1S/C8H12BrN3O/c1-5(2)4-13-7-6(9)3-11-8(10)12-7/h3,5H,4H2,1-2H3,(H2,10,11,12)
InChIKeyDMQWEKKIJJBZOQ-UHFFFAOYSA-N
MW246.11 g/mol
LogP1.86
Rot. Bonds3

About 5-bromo-4-(2-methylpropoxy)pyrimidin-2-amine

5-bromo-4-(2-methylpropoxy)pyrimidin-2-amine (PubChem CID 80859676) has the molecular formula C8H12BrN3O and a molecular weight of 246.11 g/mol. Its IUPAC name is 5-bromo-4-(2-methylpropoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(2-methylpropoxy)pyrimidin-2-amine
PubChem CID80859676
Molecular FormulaC8H12BrN3O
Molecular Weight246.11 g/mol
Exact Mass245.02
IUPAC Name5-bromo-4-(2-methylpropoxy)pyrimidin-2-amine
SMILESCC(C)COc1nc(N)ncc1Br
InChIInChI=1S/C8H12BrN3O/c1-5(2)4-13-7-6(9)3-11-8(10)12-7/h3,5H,4H2,1-2H3,(H2,10,11,12)
InChIKeyDMQWEKKIJJBZOQ-UHFFFAOYSA-N
XLogP1.86
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.11
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2-methylpropoxy)pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(2-methylpropoxy)pyrimidin-2-amine (CID 80859676) is 5-bromo-4-(2-methylpropoxy)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(2-methylpropoxy)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(2-methylpropoxy)pyrimidin-2-amine is CC(C)COc1nc(N)ncc1Br.
What is the InChIKey of 5-bromo-4-(2-methylpropoxy)pyrimidin-2-amine?
The InChIKey is DMQWEKKIJJBZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O/c1-5(2)4-13-7-6(9)3-11-8(10)12-7/h3,5H,4H2,1-2H3,(H2,10,11,12).
What are the key properties of 5-bromo-4-(2-methylpropoxy)pyrimidin-2-amine?
5-bromo-4-(2-methylpropoxy)pyrimidin-2-amine has a molecular weight of 246.11 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2-methylpropoxy)pyrimidin-2-amine is sourced from PubChem (CID 80859676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).