4-N-(2-bromo-5-methylphenyl)-2-methylpyrimidine-4,6-diamine

C12H13BrN4 — CID 82759241

IUPAC4-N-(2-bromo-5-methylphenyl)-2-methylpyrimidine-4,6-diamine
SMILESCc1ccc(Br)c(Nc2cc(N)nc(C)n2)c1
InChIInChI=1S/C12H13BrN4/c1-7-3-4-9(13)10(5-7)17-12-6-11(14)15-8(2)16-12/h3-6H,1-2H3,(H3,14,15,16,17)
InChIKeyNJSYNFXPPYIIGP-UHFFFAOYSA-N
MW293.17 g/mol
LogP3.18
Rot. Bonds2

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

4-N-(2-bromo-5-methylphenyl)-2-methylpyrimidine-4,6-diamine (PubChem CID 82759241) has the molecular formula C12H13BrN4 and a molecular weight of 293.17 g/mol. Its IUPAC name is 4-N-(2-bromo-5-methylphenyl)-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-bromo-5-methylphenyl)-2-methylpyrimidine-4,6-diamine
PubChem CID82759241
Molecular FormulaC12H13BrN4
Molecular Weight293.17 g/mol
Exact Mass292.03
IUPAC Name4-N-(2-bromo-5-methylphenyl)-2-methylpyrimidine-4,6-diamine
SMILESCc1ccc(Br)c(Nc2cc(N)nc(C)n2)c1
InChIInChI=1S/C12H13BrN4/c1-7-3-4-9(13)10(5-7)17-12-6-11(14)15-8(2)16-12/h3-6H,1-2H3,(H3,14,15,16,17)
InChIKeyNJSYNFXPPYIIGP-UHFFFAOYSA-N
XLogP3.18
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,4-dibromo-5-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 103417170
4-N-(2-bromo-5-methylphenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 82759582
N-(2-bromo-5-methylphenyl)-2-chloro-6-methylpyrimidin-4-amine
CID 82766798
N-(2-bromo-5-methylphenyl)-6-hydrazinylpyrazin-2-amine
CID 82758106
4-N-(2-bromo-4-methylphenyl)-2-ethylpyrimidine-4,6-diamine
CID 80934075
4-N-(2-bromo-4-methylphenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80768591
N-(2-bromo-5-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 107639608
N-(2-bromo-5-methylphenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102721054
5-bromo-N-(2-bromo-5-methylphenyl)-4-methylpyridin-2-amine
CID 114870518
4-N-(3-bromo-4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 80846996
2-N-(2-bromo-5-methylphenyl)benzene-1,2-diamine
CID 82761133
3-N-(2-bromo-5-methylphenyl)-5-methylbenzene-1,3-diamine
CID 112648174

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromo-5-methylphenyl)-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-bromo-5-methylphenyl)-2-methylpyrimidine-4,6-diamine (CID 82759241) is 4-N-(2-bromo-5-methylphenyl)-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-bromo-5-methylphenyl)-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-bromo-5-methylphenyl)-2-methylpyrimidine-4,6-diamine is Cc1ccc(Br)c(Nc2cc(N)nc(C)n2)c1.
What is the InChIKey of 4-N-(2-bromo-5-methylphenyl)-2-methylpyrimidine-4,6-diamine?
The InChIKey is NJSYNFXPPYIIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4/c1-7-3-4-9(13)10(5-7)17-12-6-11(14)15-8(2)16-12/h3-6H,1-2H3,(H3,14,15,16,17).
What are the key properties of 4-N-(2-bromo-5-methylphenyl)-2-methylpyrimidine-4,6-diamine?
4-N-(2-bromo-5-methylphenyl)-2-methylpyrimidine-4,6-diamine has a molecular weight of 293.17 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bromo-5-methylphenyl)-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 82759241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).