N-(2-bromophenyl)-4,6-dimethylpyrimidin-2-amine

C12H12BrN3 — CID 655149

IUPACN-(2-bromophenyl)-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(Nc2ccccc2Br)n1
InChIInChI=1S/C12H12BrN3/c1-8-7-9(2)15-12(14-8)16-11-6-4-3-5-10(11)13/h3-7H,1-2H3,(H,14,15,16)
InChIKeyAZYVWDBJBZWCIQ-UHFFFAOYSA-N
MW278.15 g/mol
LogP3.60
Rot. Bonds2

About N-(2-bromophenyl)-4,6-dimethylpyrimidin-2-amine

N-(2-bromophenyl)-4,6-dimethylpyrimidin-2-amine (PubChem CID 655149) has the molecular formula C12H12BrN3 and a molecular weight of 278.15 g/mol. Its IUPAC name is N-(2-bromophenyl)-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-bromophenyl)-4,6-dimethylpyrimidin-2-amine
PubChem CID655149
Molecular FormulaC12H12BrN3
Molecular Weight278.15 g/mol
Exact Mass277.02
IUPAC NameN-(2-bromophenyl)-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(Nc2ccccc2Br)n1
InChIInChI=1S/C12H12BrN3/c1-8-7-9(2)15-12(14-8)16-11-6-4-3-5-10(11)13/h3-7H,1-2H3,(H,14,15,16)
InChIKeyAZYVWDBJBZWCIQ-UHFFFAOYSA-N
XLogP3.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-(2-bromophenyl)-4,6-dimethylpyrimidin-2-amine (CID 655149) is N-(2-bromophenyl)-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-(2-bromophenyl)-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-(2-bromophenyl)-4,6-dimethylpyrimidin-2-amine is Cc1cc(C)nc(Nc2ccccc2Br)n1.
What is the InChIKey of N-(2-bromophenyl)-4,6-dimethylpyrimidin-2-amine?
The InChIKey is AZYVWDBJBZWCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3/c1-8-7-9(2)15-12(14-8)16-11-6-4-3-5-10(11)13/h3-7H,1-2H3,(H,14,15,16).
What are the key properties of N-(2-bromophenyl)-4,6-dimethylpyrimidin-2-amine?
N-(2-bromophenyl)-4,6-dimethylpyrimidin-2-amine has a molecular weight of 278.15 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 655149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).