3-bromo-2-N-[3-(dimethylamino)-4-methylphenyl]-4-methylpyridine-2,5-diamine

C15H19BrN4 — CID 104507078

IUPAC3-bromo-2-N-[3-(dimethylamino)-4-methylphenyl]-4-methylpyridine-2,5-diamine
SMILESCc1ccc(Nc2ncc(N)c(C)c2Br)cc1N(C)C
InChIInChI=1S/C15H19BrN4/c1-9-5-6-11(7-13(9)20(3)4)19-15-14(16)10(2)12(17)8-18-15/h5-8H,17H2,1-4H3,(H,18,19)
InChIKeyPWWQITBHTSNQDP-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.85
Rot. Bonds3

About 3-bromo-2-N-[3-(dimethylamino)-4-methylphenyl]-4-methylpyridine-2,5-diamine

3-bromo-2-N-[3-(dimethylamino)-4-methylphenyl]-4-methylpyridine-2,5-diamine (PubChem CID 104507078) has the molecular formula C15H19BrN4 and a molecular weight of 335.25 g/mol. Its IUPAC name is 3-bromo-2-N-[3-(dimethylamino)-4-methylphenyl]-4-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-[3-(dimethylamino)-4-methylphenyl]-4-methylpyridine-2,5-diamine
PubChem CID104507078
Molecular FormulaC15H19BrN4
Molecular Weight335.25 g/mol
Exact Mass334.08
IUPAC Name3-bromo-2-N-[3-(dimethylamino)-4-methylphenyl]-4-methylpyridine-2,5-diamine
SMILESCc1ccc(Nc2ncc(N)c(C)c2Br)cc1N(C)C
InChIInChI=1S/C15H19BrN4/c1-9-5-6-11(7-13(9)20(3)4)19-15-14(16)10(2)12(17)8-18-15/h5-8H,17H2,1-4H3,(H,18,19)
InChIKeyPWWQITBHTSNQDP-UHFFFAOYSA-N
XLogP3.85
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-[3-(dimethylamino)-4-methylphenyl]-4-methylpyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-[3-(dimethylamino)-4-methylphenyl]-4-methylpyridine-2,5-diamine (CID 104507078) is 3-bromo-2-N-[3-(dimethylamino)-4-methylphenyl]-4-methylpyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-[3-(dimethylamino)-4-methylphenyl]-4-methylpyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-[3-(dimethylamino)-4-methylphenyl]-4-methylpyridine-2,5-diamine is Cc1ccc(Nc2ncc(N)c(C)c2Br)cc1N(C)C.
What is the InChIKey of 3-bromo-2-N-[3-(dimethylamino)-4-methylphenyl]-4-methylpyridine-2,5-diamine?
The InChIKey is PWWQITBHTSNQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4/c1-9-5-6-11(7-13(9)20(3)4)19-15-14(16)10(2)12(17)8-18-15/h5-8H,17H2,1-4H3,(H,18,19).
What are the key properties of 3-bromo-2-N-[3-(dimethylamino)-4-methylphenyl]-4-methylpyridine-2,5-diamine?
3-bromo-2-N-[3-(dimethylamino)-4-methylphenyl]-4-methylpyridine-2,5-diamine has a molecular weight of 335.25 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N-[3-(dimethylamino)-4-methylphenyl]-4-methylpyridine-2,5-diamine is sourced from PubChem (CID 104507078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).