5-bromo-N-(4-bromo-3-chlorophenyl)-4-methoxypyrimidin-2-amine

C11H8Br2ClN3O — CID 107616386

IUPAC5-bromo-N-(4-bromo-3-chlorophenyl)-4-methoxypyrimidin-2-amine
SMILESCOc1nc(Nc2ccc(Br)c(Cl)c2)ncc1Br
InChIInChI=1S/C11H8Br2ClN3O/c1-18-10-8(13)5-15-11(17-10)16-6-2-3-7(12)9(14)4-6/h2-5H,1H3,(H,15,16,17)
InChIKeyBRYRNHLKNQSKGP-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.41
Rot. Bonds3

About 5-bromo-N-(4-bromo-3-chlorophenyl)-4-methoxypyrimidin-2-amine

5-bromo-N-(4-bromo-3-chlorophenyl)-4-methoxypyrimidin-2-amine (PubChem CID 107616386) has the molecular formula C11H8Br2ClN3O and a molecular weight of 393.47 g/mol. Its IUPAC name is 5-bromo-N-(4-bromo-3-chlorophenyl)-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(4-bromo-3-chlorophenyl)-4-methoxypyrimidin-2-amine
PubChem CID107616386
Molecular FormulaC11H8Br2ClN3O
Molecular Weight393.47 g/mol
Exact Mass390.87
IUPAC Name5-bromo-N-(4-bromo-3-chlorophenyl)-4-methoxypyrimidin-2-amine
SMILESCOc1nc(Nc2ccc(Br)c(Cl)c2)ncc1Br
InChIInChI=1S/C11H8Br2ClN3O/c1-18-10-8(13)5-15-11(17-10)16-6-2-3-7(12)9(14)4-6/h2-5H,1H3,(H,15,16,17)
InChIKeyBRYRNHLKNQSKGP-UHFFFAOYSA-N
XLogP4.41
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(3-chloro-4-fluorophenyl)-4-methoxypyrimidin-2-amine;5-bromo-2-chloro-4-methoxypyrimidine;3-chloro-4-fluoroaniline
CID 159573224
5-bromo-N-(2-chloro-4-methylphenyl)-4-methoxypyrimidin-2-amine
CID 106998597
5-bromo-4-chloro-N-(3,4-dichlorophenyl)pyrimidin-2-amine
CID 168509794
5-bromo-N-(2,5-dichloro-4-methylphenyl)-4-methoxypyrimidin-2-amine
CID 106999086
N-[3-(aminomethyl)phenyl]-5-bromo-4-methoxypyrimidin-2-amine
CID 106999908
N-[3-(2-aminoethoxy)phenyl]-5-bromo-4-methoxypyrimidin-2-amine
CID 106998107
5-bromo-4-chloro-N-(4-chloro-3-methylphenyl)pyrimidin-2-amine
CID 168509796
5-bromo-N-(5-bromo-2-methylphenyl)-4-methoxypyrimidin-2-amine
CID 106998767
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
5-bromo-4-chloro-N-(3,5-dimethoxyphenyl)pyrimidin-2-amine
CID 59354245

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-bromo-3-chlorophenyl)-4-methoxypyrimidin-2-amine?
The IUPAC name of 5-bromo-N-(4-bromo-3-chlorophenyl)-4-methoxypyrimidin-2-amine (CID 107616386) is 5-bromo-N-(4-bromo-3-chlorophenyl)-4-methoxypyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-(4-bromo-3-chlorophenyl)-4-methoxypyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-(4-bromo-3-chlorophenyl)-4-methoxypyrimidin-2-amine is COc1nc(Nc2ccc(Br)c(Cl)c2)ncc1Br.
What is the InChIKey of 5-bromo-N-(4-bromo-3-chlorophenyl)-4-methoxypyrimidin-2-amine?
The InChIKey is BRYRNHLKNQSKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2ClN3O/c1-18-10-8(13)5-15-11(17-10)16-6-2-3-7(12)9(14)4-6/h2-5H,1H3,(H,15,16,17).
What are the key properties of 5-bromo-N-(4-bromo-3-chlorophenyl)-4-methoxypyrimidin-2-amine?
5-bromo-N-(4-bromo-3-chlorophenyl)-4-methoxypyrimidin-2-amine has a molecular weight of 393.47 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-bromo-3-chlorophenyl)-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 107616386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).