N-(4-bromophenyl)-5,6-dimethylpyrimidin-4-amine

C12H12BrN3 — CID 13121229

IUPACN-(4-bromophenyl)-5,6-dimethylpyrimidin-4-amine
SMILESCc1ncnc(Nc2ccc(Br)cc2)c1C
InChIInChI=1S/C12H12BrN3/c1-8-9(2)14-7-15-12(8)16-11-5-3-10(13)4-6-11/h3-7H,1-2H3,(H,14,15,16)
InChIKeyQOUKYDBYXKZUDH-UHFFFAOYSA-N
MW278.15 g/mol
LogP3.60
Rot. Bonds2

About N-(4-bromophenyl)-5,6-dimethylpyrimidin-4-amine

N-(4-bromophenyl)-5,6-dimethylpyrimidin-4-amine (PubChem CID 13121229) has the molecular formula C12H12BrN3 and a molecular weight of 278.15 g/mol. Its IUPAC name is N-(4-bromophenyl)-5,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-5,6-dimethylpyrimidin-4-amine
PubChem CID13121229
Molecular FormulaC12H12BrN3
Molecular Weight278.15 g/mol
Exact Mass277.02
IUPAC NameN-(4-bromophenyl)-5,6-dimethylpyrimidin-4-amine
SMILESCc1ncnc(Nc2ccc(Br)cc2)c1C
InChIInChI=1S/C12H12BrN3/c1-8-9(2)14-7-15-12(8)16-11-5-3-10(13)4-6-11/h3-7H,1-2H3,(H,14,15,16)
InChIKeyQOUKYDBYXKZUDH-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-(4-bromophenyl)-5,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-(4-bromophenyl)-5,6-dimethylpyrimidin-4-amine (CID 13121229) is N-(4-bromophenyl)-5,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-(4-bromophenyl)-5,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-(4-bromophenyl)-5,6-dimethylpyrimidin-4-amine is Cc1ncnc(Nc2ccc(Br)cc2)c1C.
What is the InChIKey of N-(4-bromophenyl)-5,6-dimethylpyrimidin-4-amine?
The InChIKey is QOUKYDBYXKZUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3/c1-8-9(2)14-7-15-12(8)16-11-5-3-10(13)4-6-11/h3-7H,1-2H3,(H,14,15,16).
What are the key properties of N-(4-bromophenyl)-5,6-dimethylpyrimidin-4-amine?
N-(4-bromophenyl)-5,6-dimethylpyrimidin-4-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-(4-bromophenyl)-5,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 13121229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).