6-bromo-N-(3-bromo-2-methylphenyl)pyrimidin-4-amine

C11H9Br2N3 — CID 107636993

IUPAC6-bromo-N-(3-bromo-2-methylphenyl)pyrimidin-4-amine
SMILESCc1c(Br)cccc1Nc1cc(Br)ncn1
InChIInChI=1S/C11H9Br2N3/c1-7-8(12)3-2-4-9(7)16-11-5-10(13)14-6-15-11/h2-6H,1H3,(H,14,15,16)
InChIKeyXUIWJYXDMWTSOY-UHFFFAOYSA-N
MW343.02 g/mol
LogP4.05
Rot. Bonds2

About 6-bromo-N-(3-bromo-2-methylphenyl)pyrimidin-4-amine

6-bromo-N-(3-bromo-2-methylphenyl)pyrimidin-4-amine (PubChem CID 107636993) has the molecular formula C11H9Br2N3 and a molecular weight of 343.02 g/mol. Its IUPAC name is 6-bromo-N-(3-bromo-2-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-N-(3-bromo-2-methylphenyl)pyrimidin-4-amine
PubChem CID107636993
Molecular FormulaC11H9Br2N3
Molecular Weight343.02 g/mol
Exact Mass340.92
IUPAC Name6-bromo-N-(3-bromo-2-methylphenyl)pyrimidin-4-amine
SMILESCc1c(Br)cccc1Nc1cc(Br)ncn1
InChIInChI=1S/C11H9Br2N3/c1-7-8(12)3-2-4-9(7)16-11-5-10(13)14-6-15-11/h2-6H,1H3,(H,14,15,16)
InChIKeyXUIWJYXDMWTSOY-UHFFFAOYSA-N
XLogP4.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.02
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-(2,6-dibromophenyl)pyrimidin-4-amine
CID 107602238
4-N-(2-bromophenyl)-6-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112864909
4-N-(3-bromo-2-methylphenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 107638807
4-N-(3-chloro-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80762667
N-(3-bromo-2-methylphenyl)-1-methylimidazol-2-amine
CID 107627985
4-N,6-N-bis(2-methylphenyl)pyrimidine-4,6-diamine
CID 112864815
N-(2-bromo-3-methylphenyl)-6-fluoropyrimidin-4-amine
CID 115417237
3-bromo-N-(3-bromo-2-methylphenyl)-5-chloropyridin-2-amine
CID 107638006
N-(3-chloro-2-methylphenyl)-6-fluoropyrimidin-4-amine
CID 115416331
3-N-(3-bromo-2-methylphenyl)pyrazine-2,3-diamine
CID 107638555
N-(3-bromo-2-methylphenyl)-6-chloro-5-methoxypyrimidin-4-amine
CID 107636954
N-(3-bromo-2-methylphenyl)-2-tert-butyl-6-hydrazinylpyrimidin-4-amine
CID 107639485

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-bromo-2-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 6-bromo-N-(3-bromo-2-methylphenyl)pyrimidin-4-amine (CID 107636993) is 6-bromo-N-(3-bromo-2-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-bromo-N-(3-bromo-2-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-bromo-N-(3-bromo-2-methylphenyl)pyrimidin-4-amine is Cc1c(Br)cccc1Nc1cc(Br)ncn1.
What is the InChIKey of 6-bromo-N-(3-bromo-2-methylphenyl)pyrimidin-4-amine?
The InChIKey is XUIWJYXDMWTSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2N3/c1-7-8(12)3-2-4-9(7)16-11-5-10(13)14-6-15-11/h2-6H,1H3,(H,14,15,16).
What are the key properties of 6-bromo-N-(3-bromo-2-methylphenyl)pyrimidin-4-amine?
6-bromo-N-(3-bromo-2-methylphenyl)pyrimidin-4-amine has a molecular weight of 343.02 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-bromo-2-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 107636993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).