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

C11H10BrN3O — CID 117231086

IUPAC[2-(4-bromophenyl)pyrimidin-5-yl]oxymethanamine
SMILESNCOc1cnc(-c2ccc(Br)cc2)nc1
InChIInChI=1S/C11H10BrN3O/c12-9-3-1-8(2-4-9)11-14-5-10(6-15-11)16-7-13/h1-6H,7,13H2
InChIKeyGUZUDKBHTKTFEI-UHFFFAOYSA-N
MW280.13 g/mol
LogP2.20
Rot. Bonds3

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

[2-(4-bromophenyl)pyrimidin-5-yl]oxymethanamine (PubChem CID 117231086) has the molecular formula C11H10BrN3O and a molecular weight of 280.13 g/mol. Its IUPAC name is [2-(4-bromophenyl)pyrimidin-5-yl]oxymethanamine.

Molecular Properties

Compound Name[2-(4-bromophenyl)pyrimidin-5-yl]oxymethanamine
PubChem CID117231086
Molecular FormulaC11H10BrN3O
Molecular Weight280.13 g/mol
Exact Mass279.00
IUPAC Name[2-(4-bromophenyl)pyrimidin-5-yl]oxymethanamine
SMILESNCOc1cnc(-c2ccc(Br)cc2)nc1
InChIInChI=1S/C11H10BrN3O/c12-9-3-1-8(2-4-9)11-14-5-10(6-15-11)16-7-13/h1-6H,7,13H2
InChIKeyGUZUDKBHTKTFEI-UHFFFAOYSA-N
XLogP2.20
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.13
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,5-bis(4-bromophenyl)pyrimidine
CID 14089893
N'-[2-(4-bromophenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117212350
2-[4-(5-methoxypyrimidin-2-yl)phenyl]ethanamine
CID 162635633
2-(4-bromophenyl)-5-nitropyrimidine
CID 2842203
2-(4-bromophenyl)-5-iodopyrimidin-4-amine
CID 66304324
5-heptoxy-2-(4-octoxyphenyl)pyrimidine
CID 14794369
2-phenyl-5-phenylmethoxypyrimidine
CID 151774114
4-(5-ethoxypyrimidin-2-yl)-2-fluoroaniline
CID 162439888
5-bromo-2-phenylpyrimidine
CID 14387745
5-dodecoxy-2-(4-methylphenyl)pyrimidine
CID 18716574
2-[2-(4-bromophenyl)pyrimidin-4-yl]ethanamine
CID 62746440
5-octoxy-2-[4-[7-[4-[5-[7-[4-(4-octoxyphenyl)phenoxy]heptoxy]pyrimidin-2-yl]phenoxy]heptoxy]phenyl]pyrimidine
CID 132525748

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenyl)pyrimidin-5-yl]oxymethanamine?
The IUPAC name of [2-(4-bromophenyl)pyrimidin-5-yl]oxymethanamine (CID 117231086) is [2-(4-bromophenyl)pyrimidin-5-yl]oxymethanamine.
What is the SMILES notation for [2-(4-bromophenyl)pyrimidin-5-yl]oxymethanamine?
The canonical SMILES for [2-(4-bromophenyl)pyrimidin-5-yl]oxymethanamine is NCOc1cnc(-c2ccc(Br)cc2)nc1.
What is the InChIKey of [2-(4-bromophenyl)pyrimidin-5-yl]oxymethanamine?
The InChIKey is GUZUDKBHTKTFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O/c12-9-3-1-8(2-4-9)11-14-5-10(6-15-11)16-7-13/h1-6H,7,13H2.
What are the key properties of [2-(4-bromophenyl)pyrimidin-5-yl]oxymethanamine?
[2-(4-bromophenyl)pyrimidin-5-yl]oxymethanamine has a molecular weight of 280.13 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromophenyl)pyrimidin-5-yl]oxymethanamine is sourced from PubChem (CID 117231086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).