[2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-4-chlorophenyl]methanamine

C12H11BrClN3O2 — CID 106999554

IUPAC[2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-4-chlorophenyl]methanamine
SMILESCOc1nc(Oc2cc(Cl)ccc2CN)ncc1Br
InChIInChI=1S/C12H11BrClN3O2/c1-18-11-9(13)6-16-12(17-11)19-10-4-8(14)3-2-7(10)5-15/h2-4,6H,5,15H2,1H3
InChIKeyLPFDEQCULHAOOR-UHFFFAOYSA-N
MW344.60 g/mol
LogP3.15
Rot. Bonds4

About [2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-4-chlorophenyl]methanamine

[2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-4-chlorophenyl]methanamine (PubChem CID 106999554) has the molecular formula C12H11BrClN3O2 and a molecular weight of 344.60 g/mol. Its IUPAC name is [2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-4-chlorophenyl]methanamine.

Molecular Properties

Compound Name[2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-4-chlorophenyl]methanamine
PubChem CID106999554
Molecular FormulaC12H11BrClN3O2
Molecular Weight344.60 g/mol
Exact Mass342.97
IUPAC Name[2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-4-chlorophenyl]methanamine
SMILESCOc1nc(Oc2cc(Cl)ccc2CN)ncc1Br
InChIInChI=1S/C12H11BrClN3O2/c1-18-11-9(13)6-16-12(17-11)19-10-4-8(14)3-2-7(10)5-15/h2-4,6H,5,15H2,1H3
InChIKeyLPFDEQCULHAOOR-UHFFFAOYSA-N
XLogP3.15
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.60
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-5-chloroaniline
CID 106997967
[5-bromo-2-(5-bromo-4-methoxypyrimidin-2-yl)oxyphenyl]methanamine
CID 106999555
[2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-4-chlorophenyl]methanamine
CID 114838134
[4-chloro-2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]methanamine
CID 114323920
5-bromo-2-(3-chlorophenoxy)-4-methoxypyrimidine
CID 106999196
5-bromo-2-(2-chloro-4-methylphenoxy)-4-methoxypyrimidine
CID 106999317
[4-chloro-2-[(3-chloro-2-pyridinyl)oxy]phenyl]methanamine
CID 114323941
5-bromo-2-(2,4-dibromophenoxy)-4-methoxypyrimidine
CID 106999331
[4-chloro-2-[(3,5-difluoro-2-pyridinyl)oxy]phenyl]methanamine
CID 112676396
4-(5-bromo-4-methoxypyrimidin-2-yl)oxy-3-prop-2-enylaniline
CID 106997993
[3-(5-bromo-4-methoxypyrimidin-2-yl)oxy-5-methoxyphenyl]methanamine
CID 106999557
3-(5-bromo-4-methoxypyrimidin-2-yl)oxy-4-methylaniline
CID 106997973

Frequently Asked Questions

What is the IUPAC name of [2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-4-chlorophenyl]methanamine?
The IUPAC name of [2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-4-chlorophenyl]methanamine (CID 106999554) is [2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-4-chlorophenyl]methanamine.
What is the SMILES notation for [2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-4-chlorophenyl]methanamine?
The canonical SMILES for [2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-4-chlorophenyl]methanamine is COc1nc(Oc2cc(Cl)ccc2CN)ncc1Br.
What is the InChIKey of [2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-4-chlorophenyl]methanamine?
The InChIKey is LPFDEQCULHAOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3O2/c1-18-11-9(13)6-16-12(17-11)19-10-4-8(14)3-2-7(10)5-15/h2-4,6H,5,15H2,1H3.
What are the key properties of [2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-4-chlorophenyl]methanamine?
[2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-4-chlorophenyl]methanamine has a molecular weight of 344.60 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-4-chlorophenyl]methanamine is sourced from PubChem (CID 106999554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).