[4-(2-bromophenyl)pyrimidin-2-yl]methanamine

C11H10BrN3 — CID 84711190

IUPAC[4-(2-bromophenyl)pyrimidin-2-yl]methanamine
SMILESNCc1nccc(-c2ccccc2Br)n1
InChIInChI=1S/C11H10BrN3/c12-9-4-2-1-3-8(9)10-5-6-14-11(7-13)15-10/h1-6H,7,13H2
InChIKeyQCAGDDPPMVFUGU-UHFFFAOYSA-N
MW264.13 g/mol
LogP2.36
Rot. Bonds2

About [4-(2-bromophenyl)pyrimidin-2-yl]methanamine

[4-(2-bromophenyl)pyrimidin-2-yl]methanamine (PubChem CID 84711190) has the molecular formula C11H10BrN3 and a molecular weight of 264.13 g/mol. Its IUPAC name is [4-(2-bromophenyl)pyrimidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(2-bromophenyl)pyrimidin-2-yl]methanamine
PubChem CID84711190
Molecular FormulaC11H10BrN3
Molecular Weight264.13 g/mol
Exact Mass263.01
IUPAC Name[4-(2-bromophenyl)pyrimidin-2-yl]methanamine
SMILESNCc1nccc(-c2ccccc2Br)n1
InChIInChI=1S/C11H10BrN3/c12-9-4-2-1-3-8(9)10-5-6-14-11(7-13)15-10/h1-6H,7,13H2
InChIKeyQCAGDDPPMVFUGU-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2-bromophenyl)pyrimidin-2-yl]methanamine?
The IUPAC name of [4-(2-bromophenyl)pyrimidin-2-yl]methanamine (CID 84711190) is [4-(2-bromophenyl)pyrimidin-2-yl]methanamine.
What is the SMILES notation for [4-(2-bromophenyl)pyrimidin-2-yl]methanamine?
The canonical SMILES for [4-(2-bromophenyl)pyrimidin-2-yl]methanamine is NCc1nccc(-c2ccccc2Br)n1.
What is the InChIKey of [4-(2-bromophenyl)pyrimidin-2-yl]methanamine?
The InChIKey is QCAGDDPPMVFUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3/c12-9-4-2-1-3-8(9)10-5-6-14-11(7-13)15-10/h1-6H,7,13H2.
What are the key properties of [4-(2-bromophenyl)pyrimidin-2-yl]methanamine?
[4-(2-bromophenyl)pyrimidin-2-yl]methanamine has a molecular weight of 264.13 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-bromophenyl)pyrimidin-2-yl]methanamine is sourced from PubChem (CID 84711190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).