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

C12H12BrN3 — CID 62830563

IUPAC[2-[(2-bromophenyl)methyl]pyrimidin-4-yl]methanamine
SMILESNCc1ccnc(Cc2ccccc2Br)n1
InChIInChI=1S/C12H12BrN3/c13-11-4-2-1-3-9(11)7-12-15-6-5-10(8-14)16-12/h1-6H,7-8,14H2
InChIKeyJOHCMGGOSJHODY-UHFFFAOYSA-N
MW278.15 g/mol
LogP2.29
Rot. Bonds3

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

[2-[(2-bromophenyl)methyl]pyrimidin-4-yl]methanamine (PubChem CID 62830563) has the molecular formula C12H12BrN3 and a molecular weight of 278.15 g/mol. Its IUPAC name is [2-[(2-bromophenyl)methyl]pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-[(2-bromophenyl)methyl]pyrimidin-4-yl]methanamine
PubChem CID62830563
Molecular FormulaC12H12BrN3
Molecular Weight278.15 g/mol
Exact Mass277.02
IUPAC Name[2-[(2-bromophenyl)methyl]pyrimidin-4-yl]methanamine
SMILESNCc1ccnc(Cc2ccccc2Br)n1
InChIInChI=1S/C12H12BrN3/c13-11-4-2-1-3-9(11)7-12-15-6-5-10(8-14)16-12/h1-6H,7-8,14H2
InChIKeyJOHCMGGOSJHODY-UHFFFAOYSA-N
XLogP2.29
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-bromophenyl)methyl]pyrimidin-4-yl]methanamine?
The IUPAC name of [2-[(2-bromophenyl)methyl]pyrimidin-4-yl]methanamine (CID 62830563) is [2-[(2-bromophenyl)methyl]pyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-[(2-bromophenyl)methyl]pyrimidin-4-yl]methanamine?
The canonical SMILES for [2-[(2-bromophenyl)methyl]pyrimidin-4-yl]methanamine is NCc1ccnc(Cc2ccccc2Br)n1.
What is the InChIKey of [2-[(2-bromophenyl)methyl]pyrimidin-4-yl]methanamine?
The InChIKey is JOHCMGGOSJHODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3/c13-11-4-2-1-3-9(11)7-12-15-6-5-10(8-14)16-12/h1-6H,7-8,14H2.
What are the key properties of [2-[(2-bromophenyl)methyl]pyrimidin-4-yl]methanamine?
[2-[(2-bromophenyl)methyl]pyrimidin-4-yl]methanamine has a molecular weight of 278.15 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-bromophenyl)methyl]pyrimidin-4-yl]methanamine is sourced from PubChem (CID 62830563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).