2-N-[3-(dimethylamino)-4-methylphenyl]-6-methylpyridine-2,3-diamine

C15H20N4 — CID 115376279

IUPAC2-N-[3-(dimethylamino)-4-methylphenyl]-6-methylpyridine-2,3-diamine
SMILESCc1ccc(N)c(Nc2ccc(C)c(N(C)C)c2)n1
InChIInChI=1S/C15H20N4/c1-10-5-7-12(9-14(10)19(3)4)18-15-13(16)8-6-11(2)17-15/h5-9H,16H2,1-4H3,(H,17,18)
InChIKeyHBLFIZDOZOKICX-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.09
Rot. Bonds3

About 2-N-[3-(dimethylamino)-4-methylphenyl]-6-methylpyridine-2,3-diamine

2-N-[3-(dimethylamino)-4-methylphenyl]-6-methylpyridine-2,3-diamine (PubChem CID 115376279) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-N-[3-(dimethylamino)-4-methylphenyl]-6-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-[3-(dimethylamino)-4-methylphenyl]-6-methylpyridine-2,3-diamine
PubChem CID115376279
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name2-N-[3-(dimethylamino)-4-methylphenyl]-6-methylpyridine-2,3-diamine
SMILESCc1ccc(N)c(Nc2ccc(C)c(N(C)C)c2)n1
InChIInChI=1S/C15H20N4/c1-10-5-7-12(9-14(10)19(3)4)18-15-13(16)8-6-11(2)17-15/h5-9H,16H2,1-4H3,(H,17,18)
InChIKeyHBLFIZDOZOKICX-UHFFFAOYSA-N
XLogP3.09
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(dimethylamino)-4-methylphenyl]-6-methylpyridine-2,3-diamine?
The IUPAC name of 2-N-[3-(dimethylamino)-4-methylphenyl]-6-methylpyridine-2,3-diamine (CID 115376279) is 2-N-[3-(dimethylamino)-4-methylphenyl]-6-methylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-[3-(dimethylamino)-4-methylphenyl]-6-methylpyridine-2,3-diamine?
The canonical SMILES for 2-N-[3-(dimethylamino)-4-methylphenyl]-6-methylpyridine-2,3-diamine is Cc1ccc(N)c(Nc2ccc(C)c(N(C)C)c2)n1.
What is the InChIKey of 2-N-[3-(dimethylamino)-4-methylphenyl]-6-methylpyridine-2,3-diamine?
The InChIKey is HBLFIZDOZOKICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-10-5-7-12(9-14(10)19(3)4)18-15-13(16)8-6-11(2)17-15/h5-9H,16H2,1-4H3,(H,17,18).
What are the key properties of 2-N-[3-(dimethylamino)-4-methylphenyl]-6-methylpyridine-2,3-diamine?
2-N-[3-(dimethylamino)-4-methylphenyl]-6-methylpyridine-2,3-diamine has a molecular weight of 256.35 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(dimethylamino)-4-methylphenyl]-6-methylpyridine-2,3-diamine is sourced from PubChem (CID 115376279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).