5-bromo-N-(5-bromo-2-methylphenyl)-4-methoxypyrimidin-2-amine

C12H11Br2N3O — CID 106998767

IUPAC5-bromo-N-(5-bromo-2-methylphenyl)-4-methoxypyrimidin-2-amine
SMILESCOc1nc(Nc2cc(Br)ccc2C)ncc1Br
InChIInChI=1S/C12H11Br2N3O/c1-7-3-4-8(13)5-10(7)16-12-15-6-9(14)11(17-12)18-2/h3-6H,1-2H3,(H,15,16,17)
InChIKeySIDDXJYKLZAZFE-UHFFFAOYSA-N
MW373.05 g/mol
LogP4.06
Rot. Bonds3

About 5-bromo-N-(5-bromo-2-methylphenyl)-4-methoxypyrimidin-2-amine

5-bromo-N-(5-bromo-2-methylphenyl)-4-methoxypyrimidin-2-amine (PubChem CID 106998767) has the molecular formula C12H11Br2N3O and a molecular weight of 373.05 g/mol. Its IUPAC name is 5-bromo-N-(5-bromo-2-methylphenyl)-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(5-bromo-2-methylphenyl)-4-methoxypyrimidin-2-amine
PubChem CID106998767
Molecular FormulaC12H11Br2N3O
Molecular Weight373.05 g/mol
Exact Mass370.93
IUPAC Name5-bromo-N-(5-bromo-2-methylphenyl)-4-methoxypyrimidin-2-amine
SMILESCOc1nc(Nc2cc(Br)ccc2C)ncc1Br
InChIInChI=1S/C12H11Br2N3O/c1-7-3-4-8(13)5-10(7)16-12-15-6-9(14)11(17-12)18-2/h3-6H,1-2H3,(H,15,16,17)
InChIKeySIDDXJYKLZAZFE-UHFFFAOYSA-N
XLogP4.06
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.05
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(2-chloro-4-methylphenyl)-4-methoxypyrimidin-2-amine
CID 106998597
5-bromo-N-(4-fluoro-2-methylphenyl)-4-methoxypyrimidin-2-amine
CID 106998688
5-bromo-N-(2,5-dichloro-4-methylphenyl)-4-methoxypyrimidin-2-amine
CID 106999086
5-bromo-4-N-(5-bromo-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80789337
5-bromo-N-(2,4-dibromo-5-methoxyphenyl)-4-methoxypyrimidin-2-amine
CID 106999102
5-bromo-4-N-(5-bromo-2-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80788736
N-(5-bromo-2-methylphenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine
CID 62859182
5-bromo-4-N-(5-bromo-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80789415
5-bromo-N-(4-bromo-3-chlorophenyl)-4-methoxypyrimidin-2-amine
CID 107616386
5-bromo-4-methoxy-N-(2,3,4,5,6-pentafluorophenyl)pyrimidin-2-amine
CID 106999041
5-bromo-N-iodo-4-methoxypyrimidin-2-amine
CID 147407713
5-bromo-4-methoxy-N-(2,3,5,6-tetrafluorophenyl)pyrimidin-2-amine
CID 107645852

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-bromo-2-methylphenyl)-4-methoxypyrimidin-2-amine?
The IUPAC name of 5-bromo-N-(5-bromo-2-methylphenyl)-4-methoxypyrimidin-2-amine (CID 106998767) is 5-bromo-N-(5-bromo-2-methylphenyl)-4-methoxypyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-(5-bromo-2-methylphenyl)-4-methoxypyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-(5-bromo-2-methylphenyl)-4-methoxypyrimidin-2-amine is COc1nc(Nc2cc(Br)ccc2C)ncc1Br.
What is the InChIKey of 5-bromo-N-(5-bromo-2-methylphenyl)-4-methoxypyrimidin-2-amine?
The InChIKey is SIDDXJYKLZAZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2N3O/c1-7-3-4-8(13)5-10(7)16-12-15-6-9(14)11(17-12)18-2/h3-6H,1-2H3,(H,15,16,17).
What are the key properties of 5-bromo-N-(5-bromo-2-methylphenyl)-4-methoxypyrimidin-2-amine?
5-bromo-N-(5-bromo-2-methylphenyl)-4-methoxypyrimidin-2-amine has a molecular weight of 373.05 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-bromo-2-methylphenyl)-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 106998767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).