[5-(4-bromophenyl)pyrimidin-2-yl]methanimine

C11H8BrN3 — CID 123457976

IUPAC[5-(4-bromophenyl)pyrimidin-2-yl]methanimine
SMILES[H]/N=C/c1ncc(-c2ccc(Br)cc2)cn1
InChIInChI=1S/C11H8BrN3/c12-10-3-1-8(2-4-10)9-6-14-11(5-13)15-7-9/h1-7,13H/b13-5+
InChIKeyQUILRPJLMMFZEQ-WLRTZDKTSA-N
MW262.11 g/mol
LogP2.90
Rot. Bonds2

About [5-(4-bromophenyl)pyrimidin-2-yl]methanimine

[5-(4-bromophenyl)pyrimidin-2-yl]methanimine (PubChem CID 123457976) has the molecular formula C11H8BrN3 and a molecular weight of 262.11 g/mol. Its IUPAC name is [5-(4-bromophenyl)pyrimidin-2-yl]methanimine.

Molecular Properties

Compound Name[5-(4-bromophenyl)pyrimidin-2-yl]methanimine
PubChem CID123457976
Molecular FormulaC11H8BrN3
Molecular Weight262.11 g/mol
Exact Mass260.99
IUPAC Name[5-(4-bromophenyl)pyrimidin-2-yl]methanimine
SMILES[H]/N=C/c1ncc(-c2ccc(Br)cc2)cn1
InChIInChI=1S/C11H8BrN3/c12-10-3-1-8(2-4-10)9-6-14-11(5-13)15-7-9/h1-7,13H/b13-5+
InChIKeyQUILRPJLMMFZEQ-WLRTZDKTSA-N
XLogP2.90
TPSA49.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.11
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,5-bis(4-bromophenyl)pyrimidine
CID 14089893
1-bromo-4-[4-[4-(4-bromophenyl)phenyl]phenyl]benzene
CID 59775505
tetrakis(1-bromo-4-(4-bromophenyl)benzene) disulfide
CID 173034951
5-(4-bromophenyl)-2-(2,6-difluorophenyl)pyrimidine
CID 23443399
(4-bromo-2-pyridinyl)methanimine
CID 118473919
4-(4-bromophenyl)benzenecarboximidamide
CID 15564128
2-N-[5-(4-bromophenyl)pyrimidin-2-yl]propane-1,2-diamine
CID 116974242
1-[5-(4-bromophenyl)pyrimidin-2-yl]pyrrolidin-3-one
CID 116976898
3-[[5-(4-bromophenyl)pyrimidin-2-yl]-methylamino]propan-1-ol
CID 116977713
N'-[5-(4-bromophenyl)pyrimidin-2-yl]-N'-methylpropane-1,3-diamine
CID 116977443
5-phenylpyrimidine-2-carbaldehyde
CID 83915148
1-bromo-4-[4-(difluoromethyl)phenyl]benzene
CID 85090252

Frequently Asked Questions

What is the IUPAC name of [5-(4-bromophenyl)pyrimidin-2-yl]methanimine?
The IUPAC name of [5-(4-bromophenyl)pyrimidin-2-yl]methanimine (CID 123457976) is [5-(4-bromophenyl)pyrimidin-2-yl]methanimine.
What is the SMILES notation for [5-(4-bromophenyl)pyrimidin-2-yl]methanimine?
The canonical SMILES for [5-(4-bromophenyl)pyrimidin-2-yl]methanimine is [H]/N=C/c1ncc(-c2ccc(Br)cc2)cn1.
What is the InChIKey of [5-(4-bromophenyl)pyrimidin-2-yl]methanimine?
The InChIKey is QUILRPJLMMFZEQ-WLRTZDKTSA-N. The full InChI is InChI=1S/C11H8BrN3/c12-10-3-1-8(2-4-10)9-6-14-11(5-13)15-7-9/h1-7,13H/b13-5+.
What are the key properties of [5-(4-bromophenyl)pyrimidin-2-yl]methanimine?
[5-(4-bromophenyl)pyrimidin-2-yl]methanimine has a molecular weight of 262.11 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-bromophenyl)pyrimidin-2-yl]methanimine is sourced from PubChem (CID 123457976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).