2-(5-amino-2-bromophenoxy)-6-methylpyrimidine-4-carbonitrile

C12H9BrN4O — CID 107552173

IUPAC2-(5-amino-2-bromophenoxy)-6-methylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(Oc2cc(N)ccc2Br)n1
InChIInChI=1S/C12H9BrN4O/c1-7-4-9(6-14)17-12(16-7)18-11-5-8(15)2-3-10(11)13/h2-5H,15H2,1H3
InChIKeyDISYGLRQEDPXQS-UHFFFAOYSA-N
MW305.14 g/mol
LogP2.79
Rot. Bonds2

About 2-(5-amino-2-bromophenoxy)-6-methylpyrimidine-4-carbonitrile

2-(5-amino-2-bromophenoxy)-6-methylpyrimidine-4-carbonitrile (PubChem CID 107552173) has the molecular formula C12H9BrN4O and a molecular weight of 305.14 g/mol. Its IUPAC name is 2-(5-amino-2-bromophenoxy)-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(5-amino-2-bromophenoxy)-6-methylpyrimidine-4-carbonitrile
PubChem CID107552173
Molecular FormulaC12H9BrN4O
Molecular Weight305.14 g/mol
Exact Mass304.00
IUPAC Name2-(5-amino-2-bromophenoxy)-6-methylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(Oc2cc(N)ccc2Br)n1
InChIInChI=1S/C12H9BrN4O/c1-7-4-9(6-14)17-12(16-7)18-11-5-8(15)2-3-10(11)13/h2-5H,15H2,1H3
InChIKeyDISYGLRQEDPXQS-UHFFFAOYSA-N
XLogP2.79
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.14
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylpyrimidine-4-carbonitrile
CID 107546090
6-methyl-2-[(2-methyl-3-pyridinyl)oxy]pyrimidine-4-carbonitrile
CID 107545995
6-methyl-2-(2-propan-2-ylphenoxy)pyrimidine-4-carbonitrile
CID 107545714
6-methyl-2-(2-methylquinolin-8-yl)oxypyrimidine-4-carbonitrile
CID 107545802
2-(5-amino-2-bromophenoxy)-3-methylbenzonitrile
CID 107111225
4-bromo-3-(5-bromopyrimidin-2-yl)oxyaniline
CID 103011509
4-chloro-2-(4-cyano-6-methylpyrimidin-2-yl)oxybenzoic acid
CID 107553002
2-(2-fluoro-4-nitrophenoxy)-6-methylpyrimidine-4-carbonitrile
CID 107545863
2-(4-chloro-3,5-dimethylphenoxy)-6-methylpyrimidine-4-carbonitrile
CID 107545806
3-(5-amino-2-bromophenoxy)pyridine-4-carbonitrile
CID 103011480
2-(5-methoxy-2-nitrophenoxy)-6-methylpyrimidine-4-carbonitrile
CID 107546076
2-(2-bromophenoxy)-6-methylpyrimidin-4-amine
CID 90313951

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-bromophenoxy)-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-(5-amino-2-bromophenoxy)-6-methylpyrimidine-4-carbonitrile (CID 107552173) is 2-(5-amino-2-bromophenoxy)-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(5-amino-2-bromophenoxy)-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-(5-amino-2-bromophenoxy)-6-methylpyrimidine-4-carbonitrile is Cc1cc(C#N)nc(Oc2cc(N)ccc2Br)n1.
What is the InChIKey of 2-(5-amino-2-bromophenoxy)-6-methylpyrimidine-4-carbonitrile?
The InChIKey is DISYGLRQEDPXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4O/c1-7-4-9(6-14)17-12(16-7)18-11-5-8(15)2-3-10(11)13/h2-5H,15H2,1H3.
What are the key properties of 2-(5-amino-2-bromophenoxy)-6-methylpyrimidine-4-carbonitrile?
2-(5-amino-2-bromophenoxy)-6-methylpyrimidine-4-carbonitrile has a molecular weight of 305.14 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-bromophenoxy)-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 107552173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).