5-bromo-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine

C13H14BrN3O — CID 66296825

IUPAC5-bromo-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine
SMILESCC(C)Oc1cccc(-c2ncc(Br)c(N)n2)c1
InChIInChI=1S/C13H14BrN3O/c1-8(2)18-10-5-3-4-9(6-10)13-16-7-11(14)12(15)17-13/h3-8H,1-2H3,(H2,15,16,17)
InChIKeyFKKJYOVUHDGIHI-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.28
Rot. Bonds3

About 5-bromo-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine

5-bromo-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine (PubChem CID 66296825) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 5-bromo-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine
PubChem CID66296825
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name5-bromo-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine
SMILESCC(C)Oc1cccc(-c2ncc(Br)c(N)n2)c1
InChIInChI=1S/C13H14BrN3O/c1-8(2)18-10-5-3-4-9(6-10)13-16-7-11(14)12(15)17-13/h3-8H,1-2H3,(H2,15,16,17)
InChIKeyFKKJYOVUHDGIHI-UHFFFAOYSA-N
XLogP3.28
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine (CID 66296825) is 5-bromo-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine is CC(C)Oc1cccc(-c2ncc(Br)c(N)n2)c1.
What is the InChIKey of 5-bromo-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine?
The InChIKey is FKKJYOVUHDGIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-8(2)18-10-5-3-4-9(6-10)13-16-7-11(14)12(15)17-13/h3-8H,1-2H3,(H2,15,16,17).
What are the key properties of 5-bromo-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine?
5-bromo-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine has a molecular weight of 308.18 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 66296825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).