5-bromo-N-(2-methoxyphenyl)-N-methylpyrimidin-4-amine

C12H12BrN3O — CID 66317935

IUPAC5-bromo-N-(2-methoxyphenyl)-N-methylpyrimidin-4-amine
SMILESCOc1ccccc1N(C)c1ncncc1Br
InChIInChI=1S/C12H12BrN3O/c1-16(12-9(13)7-14-8-15-12)10-5-3-4-6-11(10)17-2/h3-8H,1-2H3
InChIKeyMYSWJYHMNBHPTG-UHFFFAOYSA-N
MW294.15 g/mol
LogP3.02
Rot. Bonds3

About 5-bromo-N-(2-methoxyphenyl)-N-methylpyrimidin-4-amine

5-bromo-N-(2-methoxyphenyl)-N-methylpyrimidin-4-amine (PubChem CID 66317935) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 5-bromo-N-(2-methoxyphenyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-(2-methoxyphenyl)-N-methylpyrimidin-4-amine
PubChem CID66317935
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name5-bromo-N-(2-methoxyphenyl)-N-methylpyrimidin-4-amine
SMILESCOc1ccccc1N(C)c1ncncc1Br
InChIInChI=1S/C12H12BrN3O/c1-16(12-9(13)7-14-8-15-12)10-5-3-4-6-11(10)17-2/h3-8H,1-2H3
InChIKeyMYSWJYHMNBHPTG-UHFFFAOYSA-N
XLogP3.02
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methoxyphenyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N-(2-methoxyphenyl)-N-methylpyrimidin-4-amine (CID 66317935) is 5-bromo-N-(2-methoxyphenyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-(2-methoxyphenyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-(2-methoxyphenyl)-N-methylpyrimidin-4-amine is COc1ccccc1N(C)c1ncncc1Br.
What is the InChIKey of 5-bromo-N-(2-methoxyphenyl)-N-methylpyrimidin-4-amine?
The InChIKey is MYSWJYHMNBHPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c1-16(12-9(13)7-14-8-15-12)10-5-3-4-6-11(10)17-2/h3-8H,1-2H3.
What are the key properties of 5-bromo-N-(2-methoxyphenyl)-N-methylpyrimidin-4-amine?
5-bromo-N-(2-methoxyphenyl)-N-methylpyrimidin-4-amine has a molecular weight of 294.15 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methoxyphenyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 66317935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).