6-(4-bromophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine

C14H16BrN3O — CID 80864200

IUPAC6-(4-bromophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine
SMILESCNc1ncnc(Oc2ccc(Br)cc2)c1C(C)C
InChIInChI=1S/C14H16BrN3O/c1-9(2)12-13(16-3)17-8-18-14(12)19-11-6-4-10(15)5-7-11/h4-9H,1-3H3,(H,16,17,18)
InChIKeyOOULGSRFJVXIRV-UHFFFAOYSA-N
MW322.21 g/mol
LogP4.20
Rot. Bonds4

About 6-(4-bromophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine

6-(4-bromophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine (PubChem CID 80864200) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 6-(4-bromophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-bromophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine
PubChem CID80864200
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name6-(4-bromophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine
SMILESCNc1ncnc(Oc2ccc(Br)cc2)c1C(C)C
InChIInChI=1S/C14H16BrN3O/c1-9(2)12-13(16-3)17-8-18-14(12)19-11-6-4-10(15)5-7-11/h4-9H,1-3H3,(H,16,17,18)
InChIKeyOOULGSRFJVXIRV-UHFFFAOYSA-N
XLogP4.20
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(5-bromo-3-pyridinyl)oxy]-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80876304
4-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]oxybenzamide
CID 80874832
6-(4-bromophenoxy)-5-propan-2-ylpyrimidin-4-amine
CID 80863794
6-(3,5-dichlorophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80875888
6-(3-chloro-4-fluorophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80876057
N-methyl-6-(2-methylpropoxy)-5-propan-2-ylpyrimidin-4-amine
CID 80860283
[6-(3-bromo-4-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 83238473
N-methyl-5-propan-2-yl-6-(1-propylpyrazol-4-yl)oxypyrimidin-4-amine
CID 116806201
6-(4-fluorophenoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80865732
N-methyl-5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-amine
CID 80874958
[6-(5-bromo-2-chlorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80924618
[6-(3-bromo-5-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81326582

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(4-bromophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine (CID 80864200) is 6-(4-bromophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-bromophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(4-bromophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine is CNc1ncnc(Oc2ccc(Br)cc2)c1C(C)C.
What is the InChIKey of 6-(4-bromophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is OOULGSRFJVXIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-9(2)12-13(16-3)17-8-18-14(12)19-11-6-4-10(15)5-7-11/h4-9H,1-3H3,(H,16,17,18).
What are the key properties of 6-(4-bromophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine?
6-(4-bromophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 322.21 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80864200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).