6-(4-bromo-2-propan-2-ylphenoxy)-2-propylpyrimidin-4-amine

C16H20BrN3O — CID 115403080

IUPAC6-(4-bromo-2-propan-2-ylphenoxy)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)cc(Oc2ccc(Br)cc2C(C)C)n1
InChIInChI=1S/C16H20BrN3O/c1-4-5-15-19-14(18)9-16(20-15)21-13-7-6-11(17)8-12(13)10(2)3/h6-10H,4-5H2,1-3H3,(H2,18,19,20)
InChIKeyCZGNVDBYPFGACE-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.69
Rot. Bonds5

About 6-(4-bromo-2-propan-2-ylphenoxy)-2-propylpyrimidin-4-amine

6-(4-bromo-2-propan-2-ylphenoxy)-2-propylpyrimidin-4-amine (PubChem CID 115403080) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 6-(4-bromo-2-propan-2-ylphenoxy)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-bromo-2-propan-2-ylphenoxy)-2-propylpyrimidin-4-amine
PubChem CID115403080
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name6-(4-bromo-2-propan-2-ylphenoxy)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)cc(Oc2ccc(Br)cc2C(C)C)n1
InChIInChI=1S/C16H20BrN3O/c1-4-5-15-19-14(18)9-16(20-15)21-13-7-6-11(17)8-12(13)10(2)3/h6-10H,4-5H2,1-3H3,(H2,18,19,20)
InChIKeyCZGNVDBYPFGACE-UHFFFAOYSA-N
XLogP4.69
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-bromo-2-chlorophenoxy)-2-propylpyrimidin-4-amine
CID 80949627
6-(2-bromo-4-fluorophenoxy)-2-propylpyrimidin-4-amine
CID 80949844
6-(2,4-dichlorophenoxy)-2-propylpyrimidin-4-amine
CID 80950356
6-(4-bromo-2-propan-2-ylphenoxy)pyrazin-2-amine
CID 113303072
4-(4-bromo-2-propan-2-ylphenoxy)pyrimidin-2-amine
CID 113303074
[6-(4-bromo-2-propan-2-ylphenoxy)-3-chloro-2-pyridinyl]methanamine
CID 115402686
6-(2-propoxyphenoxy)-2-propylpyrimidin-4-amine
CID 80942785
3-(6-amino-2-propylpyrimidin-4-yl)oxy-4-methylbenzonitrile
CID 107662566
2-bromo-6-(4-bromo-2-propan-2-ylphenoxy)pyridine
CID 113302880
6-naphthalen-2-yloxy-2-propylpyrimidin-4-amine
CID 80943062
6-(4-bromo-2-propan-2-ylphenoxy)-2-methoxypyridin-3-amine
CID 115401558
2-ethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-4-amine
CID 80941059

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-2-propan-2-ylphenoxy)-2-propylpyrimidin-4-amine?
The IUPAC name of 6-(4-bromo-2-propan-2-ylphenoxy)-2-propylpyrimidin-4-amine (CID 115403080) is 6-(4-bromo-2-propan-2-ylphenoxy)-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-bromo-2-propan-2-ylphenoxy)-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-(4-bromo-2-propan-2-ylphenoxy)-2-propylpyrimidin-4-amine is CCCc1nc(N)cc(Oc2ccc(Br)cc2C(C)C)n1.
What is the InChIKey of 6-(4-bromo-2-propan-2-ylphenoxy)-2-propylpyrimidin-4-amine?
The InChIKey is CZGNVDBYPFGACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-4-5-15-19-14(18)9-16(20-15)21-13-7-6-11(17)8-12(13)10(2)3/h6-10H,4-5H2,1-3H3,(H2,18,19,20).
What are the key properties of 6-(4-bromo-2-propan-2-ylphenoxy)-2-propylpyrimidin-4-amine?
6-(4-bromo-2-propan-2-ylphenoxy)-2-propylpyrimidin-4-amine has a molecular weight of 350.26 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-2-propan-2-ylphenoxy)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 115403080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).