5-(bromomethyl)-2-phenylpyrimidin-4-amine

C11H10BrN3 — CID 91165932

IUPAC5-(bromomethyl)-2-phenylpyrimidin-4-amine
SMILESNc1nc(-c2ccccc2)ncc1CBr
InChIInChI=1S/C11H10BrN3/c12-6-9-7-14-11(15-10(9)13)8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,13,14,15)
InChIKeyYUVZTADFYNAUKH-UHFFFAOYSA-N
MW264.13 g/mol
LogP2.62
Rot. Bonds2

About 5-(bromomethyl)-2-phenylpyrimidin-4-amine

5-(bromomethyl)-2-phenylpyrimidin-4-amine (PubChem CID 91165932) has the molecular formula C11H10BrN3 and a molecular weight of 264.13 g/mol. Its IUPAC name is 5-(bromomethyl)-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name5-(bromomethyl)-2-phenylpyrimidin-4-amine
PubChem CID91165932
Molecular FormulaC11H10BrN3
Molecular Weight264.13 g/mol
Exact Mass263.01
IUPAC Name5-(bromomethyl)-2-phenylpyrimidin-4-amine
SMILESNc1nc(-c2ccccc2)ncc1CBr
InChIInChI=1S/C11H10BrN3/c12-6-9-7-14-11(15-10(9)13)8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,13,14,15)
InChIKeyYUVZTADFYNAUKH-UHFFFAOYSA-N
XLogP2.62
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.13
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-methylphenyl)-2-phenylpyrimidin-4-amine
CID 62900567
5-ethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 21404719
3-(bromomethyl)-5-phenylpyridin-4-amine
CID 131436682
1-(4-methyl-2-phenylpyrimidin-5-yl)butan-2-amine
CID 170888827
5-N-(1-ethoxypropyl)-2-phenylpyrimidine-4,5-diamine
CID 21315392
5-bromo-2-phenylpyrimidine
CID 14387745
5-bromo-2-pyridin-3-ylpyrimidin-4-amine
CID 66302850
5-bromo-2-phenyl-6-propan-2-ylpyrimidin-4-amine
CID 66299701
2-phenylquinazoline
CID 158733567
5-bromo-6-methyl-2-phenylpyrimidin-4-amine
CID 66304858
5-(aminomethyl)-2-(3,5-difluorophenyl)pyrimidin-4-amine
CID 64574548
4-amino-N-butyl-2-phenylpyrimidine-5-carboxamide
CID 83567065

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-phenylpyrimidin-4-amine?
The IUPAC name of 5-(bromomethyl)-2-phenylpyrimidin-4-amine (CID 91165932) is 5-(bromomethyl)-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 5-(bromomethyl)-2-phenylpyrimidin-4-amine?
The canonical SMILES for 5-(bromomethyl)-2-phenylpyrimidin-4-amine is Nc1nc(-c2ccccc2)ncc1CBr.
What is the InChIKey of 5-(bromomethyl)-2-phenylpyrimidin-4-amine?
The InChIKey is YUVZTADFYNAUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3/c12-6-9-7-14-11(15-10(9)13)8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,13,14,15).
What are the key properties of 5-(bromomethyl)-2-phenylpyrimidin-4-amine?
5-(bromomethyl)-2-phenylpyrimidin-4-amine has a molecular weight of 264.13 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 91165932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).