5-bromo-4-(3-chlorophenoxy)pyrimidin-2-amine

C10H7BrClN3O — CID 80869635

IUPAC5-bromo-4-(3-chlorophenoxy)pyrimidin-2-amine
SMILESNc1ncc(Br)c(Oc2cccc(Cl)c2)n1
InChIInChI=1S/C10H7BrClN3O/c11-8-5-14-10(13)15-9(8)16-7-3-1-2-6(12)4-7/h1-5H,(H2,13,14,15)
InChIKeyKZANDQYOUQAMHU-UHFFFAOYSA-N
MW300.54 g/mol
LogP3.27
Rot. Bonds2

About 5-bromo-4-(3-chlorophenoxy)pyrimidin-2-amine

5-bromo-4-(3-chlorophenoxy)pyrimidin-2-amine (PubChem CID 80869635) has the molecular formula C10H7BrClN3O and a molecular weight of 300.54 g/mol. Its IUPAC name is 5-bromo-4-(3-chlorophenoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(3-chlorophenoxy)pyrimidin-2-amine
PubChem CID80869635
Molecular FormulaC10H7BrClN3O
Molecular Weight300.54 g/mol
Exact Mass298.95
IUPAC Name5-bromo-4-(3-chlorophenoxy)pyrimidin-2-amine
SMILESNc1ncc(Br)c(Oc2cccc(Cl)c2)n1
InChIInChI=1S/C10H7BrClN3O/c11-8-5-14-10(13)15-9(8)16-7-3-1-2-6(12)4-7/h1-5H,(H2,13,14,15)
InChIKeyKZANDQYOUQAMHU-UHFFFAOYSA-N
XLogP3.27
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.54
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-amino-5-bromopyrimidin-4-yl)oxybenzonitrile
CID 80863504
5-bromo-4-naphthalen-2-yloxypyrimidin-2-amine
CID 80869770
5-bromo-4-(4-bromo-3-methylphenoxy)pyrimidin-2-amine
CID 83134763
5-bromo-2-(3-chlorophenoxy)-4-methoxypyrimidine
CID 106999196
5-bromo-4-(3-chlorophenoxy)-N-propylpyrimidin-2-amine
CID 80869526
4-(3-bromo-4-fluorophenoxy)-5-chloropyrimidin-2-amine
CID 83238470
3,5-dichloro-2-(3-chlorophenoxy)pyridine
CID 91013057
5-chloro-4-(3-methylphenoxy)pyrimidin-2-amine
CID 80869678
5-bromo-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidin-2-amine
CID 80882067
5-bromo-4-(5-bromo-2-chlorophenoxy)pyrimidin-2-amine
CID 80880013
[5-chloro-6-(3-chlorophenoxy)-3-pyridinyl]methanamine
CID 62321461
4-(2-bromo-4-chlorophenoxy)-5-fluoropyrimidin-2-amine
CID 80881127

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(3-chlorophenoxy)pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(3-chlorophenoxy)pyrimidin-2-amine (CID 80869635) is 5-bromo-4-(3-chlorophenoxy)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(3-chlorophenoxy)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(3-chlorophenoxy)pyrimidin-2-amine is Nc1ncc(Br)c(Oc2cccc(Cl)c2)n1.
What is the InChIKey of 5-bromo-4-(3-chlorophenoxy)pyrimidin-2-amine?
The InChIKey is KZANDQYOUQAMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClN3O/c11-8-5-14-10(13)15-9(8)16-7-3-1-2-6(12)4-7/h1-5H,(H2,13,14,15).
What are the key properties of 5-bromo-4-(3-chlorophenoxy)pyrimidin-2-amine?
5-bromo-4-(3-chlorophenoxy)pyrimidin-2-amine has a molecular weight of 300.54 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(3-chlorophenoxy)pyrimidin-2-amine is sourced from PubChem (CID 80869635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).