6-(2-bromo-4-chlorophenoxy)-2-cyclopropylpyrimidin-4-amine

C13H11BrClN3O — CID 80965409

IUPAC6-(2-bromo-4-chlorophenoxy)-2-cyclopropylpyrimidin-4-amine
SMILESNc1cc(Oc2ccc(Cl)cc2Br)nc(C2CC2)n1
InChIInChI=1S/C13H11BrClN3O/c14-9-5-8(15)3-4-10(9)19-12-6-11(16)17-13(18-12)7-1-2-7/h3-7H,1-2H2,(H2,16,17,18)
InChIKeyGHQLSCDPVNTECL-UHFFFAOYSA-N
MW340.61 g/mol
LogP4.14
Rot. Bonds3

About 6-(2-bromo-4-chlorophenoxy)-2-cyclopropylpyrimidin-4-amine

6-(2-bromo-4-chlorophenoxy)-2-cyclopropylpyrimidin-4-amine (PubChem CID 80965409) has the molecular formula C13H11BrClN3O and a molecular weight of 340.61 g/mol. Its IUPAC name is 6-(2-bromo-4-chlorophenoxy)-2-cyclopropylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-bromo-4-chlorophenoxy)-2-cyclopropylpyrimidin-4-amine
PubChem CID80965409
Molecular FormulaC13H11BrClN3O
Molecular Weight340.61 g/mol
Exact Mass338.98
IUPAC Name6-(2-bromo-4-chlorophenoxy)-2-cyclopropylpyrimidin-4-amine
SMILESNc1cc(Oc2ccc(Cl)cc2Br)nc(C2CC2)n1
InChIInChI=1S/C13H11BrClN3O/c14-9-5-8(15)3-4-10(9)19-12-6-11(16)17-13(18-12)7-1-2-7/h3-7H,1-2H2,(H2,16,17,18)
InChIKeyGHQLSCDPVNTECL-UHFFFAOYSA-N
XLogP4.14
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.61
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-bromo-4-chlorophenoxy)-2-ethylpyrimidin-4-amine
CID 80941349
2-cyclopropyl-6-phenoxypyrimidin-4-amine
CID 80965794
2-cyclopropyl-6-(4-fluorophenoxy)pyrimidin-4-amine
CID 80966558
[2-cyclopropyl-6-(2,5-dichlorophenoxy)pyrimidin-4-yl]hydrazine
CID 80969675
2-cyclopropyl-6-(2-nitrophenoxy)pyrimidin-4-amine
CID 80965952
2-cyclopropyl-6-(3-fluoro-4-nitrophenoxy)pyrimidin-4-amine
CID 80965208
6-(4-bromo-2-chlorophenoxy)pyrimidine-2,4-diamine
CID 80881336
2-cyclopropyl-6-(4-propoxyphenoxy)pyrimidin-4-amine
CID 80966516
4-chloro-2-cyclopropyl-6-(2,5-difluorophenoxy)pyrimidine
CID 80948580
[4-(2-bromo-4-chlorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567756
3-(6-amino-2-cyclopropylpyrimidin-4-yl)oxybenzonitrile
CID 80965784
[2-(2-bromo-4-chlorophenoxy)-6-methyl-4-pyridinyl]methanol
CID 113378798

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromo-4-chlorophenoxy)-2-cyclopropylpyrimidin-4-amine?
The IUPAC name of 6-(2-bromo-4-chlorophenoxy)-2-cyclopropylpyrimidin-4-amine (CID 80965409) is 6-(2-bromo-4-chlorophenoxy)-2-cyclopropylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-bromo-4-chlorophenoxy)-2-cyclopropylpyrimidin-4-amine?
The canonical SMILES for 6-(2-bromo-4-chlorophenoxy)-2-cyclopropylpyrimidin-4-amine is Nc1cc(Oc2ccc(Cl)cc2Br)nc(C2CC2)n1.
What is the InChIKey of 6-(2-bromo-4-chlorophenoxy)-2-cyclopropylpyrimidin-4-amine?
The InChIKey is GHQLSCDPVNTECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClN3O/c14-9-5-8(15)3-4-10(9)19-12-6-11(16)17-13(18-12)7-1-2-7/h3-7H,1-2H2,(H2,16,17,18).
What are the key properties of 6-(2-bromo-4-chlorophenoxy)-2-cyclopropylpyrimidin-4-amine?
6-(2-bromo-4-chlorophenoxy)-2-cyclopropylpyrimidin-4-amine has a molecular weight of 340.61 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromo-4-chlorophenoxy)-2-cyclopropylpyrimidin-4-amine is sourced from PubChem (CID 80965409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).