4-[(3-methylphenyl)methyl]pyridine-2,3,6-triamine

C13H16N4 — CID 140918296

IUPAC4-[(3-methylphenyl)methyl]pyridine-2,3,6-triamine
SMILESCc1cccc(Cc2cc(N)nc(N)c2N)c1
InChIInChI=1S/C13H16N4/c1-8-3-2-4-9(5-8)6-10-7-11(14)17-13(16)12(10)15/h2-5,7H,6,15H2,1H3,(H4,14,16,17)
InChIKeyDWRHQAWGDYZEMZ-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.73
Rot. Bonds2

About 4-[(3-methylphenyl)methyl]pyridine-2,3,6-triamine

4-[(3-methylphenyl)methyl]pyridine-2,3,6-triamine (PubChem CID 140918296) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 4-[(3-methylphenyl)methyl]pyridine-2,3,6-triamine.

Molecular Properties

Compound Name4-[(3-methylphenyl)methyl]pyridine-2,3,6-triamine
PubChem CID140918296
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name4-[(3-methylphenyl)methyl]pyridine-2,3,6-triamine
SMILESCc1cccc(Cc2cc(N)nc(N)c2N)c1
InChIInChI=1S/C13H16N4/c1-8-3-2-4-9(5-8)6-10-7-11(14)17-13(16)12(10)15/h2-5,7H,6,15H2,1H3,(H4,14,16,17)
InChIKeyDWRHQAWGDYZEMZ-UHFFFAOYSA-N
XLogP1.73
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyclopropyl-2-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 63354058
5-bromo-3-[(3-methylphenyl)methyl]pyrazin-2-amine
CID 146404032
4-[(3-fluorophenyl)methyl]-6-hydrazinylpyridine-2,5-diamine
CID 130451115
1,2,4-trifluoro-5-[(3-methylphenyl)methyl]benzene
CID 91017435
chloro-tris[2-[(3-methylphenyl)methyl]phenyl]silane
CID 88962487
5-methyl-4-[(3-methylphenyl)methyl]-1H-pyrazole
CID 69037485
1-[3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]phenyl]-4-phenylbutan-1-one;4-phenyl-1-[3-[(2,3,6-triamino-4-pyridinyl)methyl]phenyl]butan-1-one
CID 162262226
6-ethyl-5-iodo-2-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 66299080
2-amino-6-[(3-methylphenyl)methyl]-1H-1,3,5-triazine-4-thione
CID 83240427
3-[5-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline
CID 62387381
6-[(3-methylphenyl)methylsulfanyl]pyridin-2-amine
CID 80652578
4-[2-(3-methylphenyl)ethyl]pyridin-2-amine
CID 56992770

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylphenyl)methyl]pyridine-2,3,6-triamine?
The IUPAC name of 4-[(3-methylphenyl)methyl]pyridine-2,3,6-triamine (CID 140918296) is 4-[(3-methylphenyl)methyl]pyridine-2,3,6-triamine.
What is the SMILES notation for 4-[(3-methylphenyl)methyl]pyridine-2,3,6-triamine?
The canonical SMILES for 4-[(3-methylphenyl)methyl]pyridine-2,3,6-triamine is Cc1cccc(Cc2cc(N)nc(N)c2N)c1.
What is the InChIKey of 4-[(3-methylphenyl)methyl]pyridine-2,3,6-triamine?
The InChIKey is DWRHQAWGDYZEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-8-3-2-4-9(5-8)6-10-7-11(14)17-13(16)12(10)15/h2-5,7H,6,15H2,1H3,(H4,14,16,17).
What are the key properties of 4-[(3-methylphenyl)methyl]pyridine-2,3,6-triamine?
4-[(3-methylphenyl)methyl]pyridine-2,3,6-triamine has a molecular weight of 228.30 g/mol, XLogP of 1.73, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylphenyl)methyl]pyridine-2,3,6-triamine is sourced from PubChem (CID 140918296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).