4-N-(2-bromophenyl)-5-methylpyrimidine-4,6-diamine

C11H11BrN4 — CID 80760482

IUPAC4-N-(2-bromophenyl)-5-methylpyrimidine-4,6-diamine
SMILESCc1c(N)ncnc1Nc1ccccc1Br
InChIInChI=1S/C11H11BrN4/c1-7-10(13)14-6-15-11(7)16-9-5-3-2-4-8(9)12/h2-6H,1H3,(H3,13,14,15,16)
InChIKeyLLNCKOQJOBMHMG-UHFFFAOYSA-N
MW279.14 g/mol
LogP2.87
Rot. Bonds2

About 4-N-(2-bromophenyl)-5-methylpyrimidine-4,6-diamine

4-N-(2-bromophenyl)-5-methylpyrimidine-4,6-diamine (PubChem CID 80760482) has the molecular formula C11H11BrN4 and a molecular weight of 279.14 g/mol. Its IUPAC name is 4-N-(2-bromophenyl)-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-bromophenyl)-5-methylpyrimidine-4,6-diamine
PubChem CID80760482
Molecular FormulaC11H11BrN4
Molecular Weight279.14 g/mol
Exact Mass278.02
IUPAC Name4-N-(2-bromophenyl)-5-methylpyrimidine-4,6-diamine
SMILESCc1c(N)ncnc1Nc1ccccc1Br
InChIInChI=1S/C11H11BrN4/c1-7-10(13)14-6-15-11(7)16-9-5-3-2-4-8(9)12/h2-6H,1H3,(H3,13,14,15,16)
InChIKeyLLNCKOQJOBMHMG-UHFFFAOYSA-N
XLogP2.87
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-bromophenyl)-5-propylpyrimidine-4,6-diamine
CID 80761295
4-N-(3-fluoro-2-methylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80814540
4-N-(2-chloro-3-methylphenyl)-5-methylpyrimidine-4,6-diamine
CID 114250669
4-N-(2,6-difluorophenyl)-5-methylpyrimidine-4,6-diamine
CID 80754871
6-N-(2-bromophenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine
CID 19144039
3-N-(3-bromo-2-methylphenyl)pyrazine-2,3-diamine
CID 107638555
4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19137100
4-N-(2-chloro-5-fluorophenyl)-5-methylpyrimidine-4,6-diamine
CID 107531796
4-N-(2-methylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80754772
4-[[5-amino-6-(2-bromoanilino)pyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide
CID 19145290
4-amino-6-(2-methylanilino)pyrimidine-5-carbaldehyde
CID 123774955
6-N-(2-bromophenyl)-4-N-(2,5-dimethylphenyl)-5-nitropyrimidine-4,6-diamine
CID 23485710

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromophenyl)-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-bromophenyl)-5-methylpyrimidine-4,6-diamine (CID 80760482) is 4-N-(2-bromophenyl)-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-bromophenyl)-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-bromophenyl)-5-methylpyrimidine-4,6-diamine is Cc1c(N)ncnc1Nc1ccccc1Br.
What is the InChIKey of 4-N-(2-bromophenyl)-5-methylpyrimidine-4,6-diamine?
The InChIKey is LLNCKOQJOBMHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4/c1-7-10(13)14-6-15-11(7)16-9-5-3-2-4-8(9)12/h2-6H,1H3,(H3,13,14,15,16).
What are the key properties of 4-N-(2-bromophenyl)-5-methylpyrimidine-4,6-diamine?
4-N-(2-bromophenyl)-5-methylpyrimidine-4,6-diamine has a molecular weight of 279.14 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bromophenyl)-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80760482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).