5-bromo-N-methyl-N-(4-methylphenyl)pyrimidin-4-amine

C12H12BrN3 — CID 66319063

IUPAC5-bromo-N-methyl-N-(4-methylphenyl)pyrimidin-4-amine
SMILESCc1ccc(N(C)c2ncncc2Br)cc1
InChIInChI=1S/C12H12BrN3/c1-9-3-5-10(6-4-9)16(2)12-11(13)7-14-8-15-12/h3-8H,1-2H3
InChIKeyJUPUUHALIZRBOD-UHFFFAOYSA-N
MW278.15 g/mol
LogP3.32
Rot. Bonds2

About 5-bromo-N-methyl-N-(4-methylphenyl)pyrimidin-4-amine

5-bromo-N-methyl-N-(4-methylphenyl)pyrimidin-4-amine (PubChem CID 66319063) has the molecular formula C12H12BrN3 and a molecular weight of 278.15 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-(4-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-N-(4-methylphenyl)pyrimidin-4-amine
PubChem CID66319063
Molecular FormulaC12H12BrN3
Molecular Weight278.15 g/mol
Exact Mass277.02
IUPAC Name5-bromo-N-methyl-N-(4-methylphenyl)pyrimidin-4-amine
SMILESCc1ccc(N(C)c2ncncc2Br)cc1
InChIInChI=1S/C12H12BrN3/c1-9-3-5-10(6-4-9)16(2)12-11(13)7-14-8-15-12/h3-8H,1-2H3
InChIKeyJUPUUHALIZRBOD-UHFFFAOYSA-N
XLogP3.32
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-(4-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-methyl-N-(4-methylphenyl)pyrimidin-4-amine (CID 66319063) is 5-bromo-N-methyl-N-(4-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-methyl-N-(4-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-methyl-N-(4-methylphenyl)pyrimidin-4-amine is Cc1ccc(N(C)c2ncncc2Br)cc1.
What is the InChIKey of 5-bromo-N-methyl-N-(4-methylphenyl)pyrimidin-4-amine?
The InChIKey is JUPUUHALIZRBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3/c1-9-3-5-10(6-4-9)16(2)12-11(13)7-14-8-15-12/h3-8H,1-2H3.
What are the key properties of 5-bromo-N-methyl-N-(4-methylphenyl)pyrimidin-4-amine?
5-bromo-N-methyl-N-(4-methylphenyl)pyrimidin-4-amine has a molecular weight of 278.15 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-(4-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 66319063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).