5-bromo-6-propan-2-yl-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine

C16H20BrN3O — CID 66296589

IUPAC5-bromo-6-propan-2-yl-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine
SMILESCC(C)Oc1cccc(-c2nc(N)c(Br)c(C(C)C)n2)c1
InChIInChI=1S/C16H20BrN3O/c1-9(2)14-13(17)15(18)20-16(19-14)11-6-5-7-12(8-11)21-10(3)4/h5-10H,1-4H3,(H2,18,19,20)
InChIKeyQXVDJVQFDMLCIG-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.40
Rot. Bonds4

About 5-bromo-6-propan-2-yl-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine

5-bromo-6-propan-2-yl-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine (PubChem CID 66296589) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 5-bromo-6-propan-2-yl-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-propan-2-yl-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine
PubChem CID66296589
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name5-bromo-6-propan-2-yl-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine
SMILESCC(C)Oc1cccc(-c2nc(N)c(Br)c(C(C)C)n2)c1
InChIInChI=1S/C16H20BrN3O/c1-9(2)14-13(17)15(18)20-16(19-14)11-6-5-7-12(8-11)21-10(3)4/h5-10H,1-4H3,(H2,18,19,20)
InChIKeyQXVDJVQFDMLCIG-UHFFFAOYSA-N
XLogP4.40
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-propan-2-yl-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-propan-2-yl-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine (CID 66296589) is 5-bromo-6-propan-2-yl-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-propan-2-yl-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-propan-2-yl-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine is CC(C)Oc1cccc(-c2nc(N)c(Br)c(C(C)C)n2)c1.
What is the InChIKey of 5-bromo-6-propan-2-yl-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine?
The InChIKey is QXVDJVQFDMLCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-9(2)14-13(17)15(18)20-16(19-14)11-6-5-7-12(8-11)21-10(3)4/h5-10H,1-4H3,(H2,18,19,20).
What are the key properties of 5-bromo-6-propan-2-yl-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine?
5-bromo-6-propan-2-yl-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine has a molecular weight of 350.26 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-propan-2-yl-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 66296589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).