6-(5-bromo-2-chlorophenoxy)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine

C15H15BrClN3O — CID 80990914

IUPAC6-(5-bromo-2-chlorophenoxy)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
SMILESCNc1nc(C2CC2)nc(Oc2cc(Br)ccc2Cl)c1C
InChIInChI=1S/C15H15BrClN3O/c1-8-13(18-2)19-14(9-3-4-9)20-15(8)21-12-7-10(16)5-6-11(12)17/h5-7,9H,3-4H2,1-2H3,(H,18,19,20)
InChIKeyMZQDADDVKZQURR-UHFFFAOYSA-N
MW368.66 g/mol
LogP4.91
Rot. Bonds4

About 6-(5-bromo-2-chlorophenoxy)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine

6-(5-bromo-2-chlorophenoxy)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine (PubChem CID 80990914) has the molecular formula C15H15BrClN3O and a molecular weight of 368.66 g/mol. Its IUPAC name is 6-(5-bromo-2-chlorophenoxy)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(5-bromo-2-chlorophenoxy)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
PubChem CID80990914
Molecular FormulaC15H15BrClN3O
Molecular Weight368.66 g/mol
Exact Mass367.01
IUPAC Name6-(5-bromo-2-chlorophenoxy)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
SMILESCNc1nc(C2CC2)nc(Oc2cc(Br)ccc2Cl)c1C
InChIInChI=1S/C15H15BrClN3O/c1-8-13(18-2)19-14(9-3-4-9)20-15(8)21-12-7-10(16)5-6-11(12)17/h5-7,9H,3-4H2,1-2H3,(H,18,19,20)
InChIKeyMZQDADDVKZQURR-UHFFFAOYSA-N
XLogP4.91
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-bromophenoxy)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
CID 80988395
4-(4-bromo-2-chlorophenoxy)-6-chloro-2-cyclopropyl-5-methylpyrimidine
CID 80974321
[2-cyclopropyl-6-(2,4-dibromophenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 81000209
6-[(5-bromo-3-pyridinyl)oxy]-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
CID 80990278
2-cyclopropyl-6-(2,3-dimethylphenoxy)-N,5-dimethylpyrimidin-4-amine
CID 80988724
2-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80988463
6-[(2-chlorophenyl)methoxy]-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
CID 80989714
6-(5-bromo-2-methylphenoxy)-N,2,5-trimethylpyrimidin-4-amine
CID 107287427
4-(5-bromo-2-chlorophenoxy)-5-chloro-N-methylpyrimidin-2-amine
CID 80879248
[6-(5-chloro-2-methylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine
CID 81000980
2-cyclopropyl-N,5-dimethyl-6-propan-2-yloxypyrimidin-4-amine
CID 80988574
6-(5-bromo-2-methylphenoxy)-3,5-dichloro-N-methylpyridin-2-amine
CID 107287594

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2-chlorophenoxy)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(5-bromo-2-chlorophenoxy)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine (CID 80990914) is 6-(5-bromo-2-chlorophenoxy)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(5-bromo-2-chlorophenoxy)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(5-bromo-2-chlorophenoxy)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine is CNc1nc(C2CC2)nc(Oc2cc(Br)ccc2Cl)c1C.
What is the InChIKey of 6-(5-bromo-2-chlorophenoxy)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine?
The InChIKey is MZQDADDVKZQURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN3O/c1-8-13(18-2)19-14(9-3-4-9)20-15(8)21-12-7-10(16)5-6-11(12)17/h5-7,9H,3-4H2,1-2H3,(H,18,19,20).
What are the key properties of 6-(5-bromo-2-chlorophenoxy)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine?
6-(5-bromo-2-chlorophenoxy)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine has a molecular weight of 368.66 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-2-chlorophenoxy)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80990914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).