4-methyl-2-N-phenylpyridine-2,5-diamine

C12H13N3 — CID 79002285

IUPAC4-methyl-2-N-phenylpyridine-2,5-diamine
SMILESCc1cc(Nc2ccccc2)ncc1N
InChIInChI=1S/C12H13N3/c1-9-7-12(14-8-11(9)13)15-10-5-3-2-4-6-10/h2-8H,13H2,1H3,(H,14,15)
InChIKeyWKSWWZJTRLQHOU-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.72
Rot. Bonds2

About 4-methyl-2-N-phenylpyridine-2,5-diamine

4-methyl-2-N-phenylpyridine-2,5-diamine (PubChem CID 79002285) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 4-methyl-2-N-phenylpyridine-2,5-diamine.

Molecular Properties

Compound Name4-methyl-2-N-phenylpyridine-2,5-diamine
PubChem CID79002285
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name4-methyl-2-N-phenylpyridine-2,5-diamine
SMILESCc1cc(Nc2ccccc2)ncc1N
InChIInChI=1S/C12H13N3/c1-9-7-12(14-8-11(9)13)15-10-5-3-2-4-6-10/h2-8H,13H2,1H3,(H,14,15)
InChIKeyWKSWWZJTRLQHOU-UHFFFAOYSA-N
XLogP2.72
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(4-iodophenyl)-4-methylpyridine-2,5-diamine
CID 79172818
2-N-(4-chlorophenyl)-4-methylpyridine-2,5-diamine
CID 79021207
2-N-(3,4-dimethylphenyl)-4-methylpyridine-2,5-diamine
CID 79020766
2-N-(4-ethoxyphenyl)-4-methylpyridine-2,5-diamine
CID 79020765
4-methyl-2-N-(2-methylsulfanylphenyl)pyridine-2,5-diamine
CID 107643430
5-[(5-amino-4-methyl-2-pyridinyl)amino]benzene-1,3-dicarboxylic acid
CID 82061059
2-N-(4-butoxyphenyl)-4-methylpyridine-2,5-diamine
CID 82061094
2-N-(4-butylphenyl)-4-methylpyridine-2,5-diamine
CID 79020710
2-N-(2-methoxyphenyl)-4-methylpyridine-2,5-diamine
CID 79020929
4-methyl-2-N-quinolin-6-ylpyridine-2,5-diamine
CID 79176038
ethyl 4-[(5-amino-4-methyl-2-pyridinyl)amino]benzoate
CID 82061056
3-N-(5-bromo-4-methyl-2-pyridinyl)benzene-1,3-diamine
CID 114869099

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-N-phenylpyridine-2,5-diamine?
The IUPAC name of 4-methyl-2-N-phenylpyridine-2,5-diamine (CID 79002285) is 4-methyl-2-N-phenylpyridine-2,5-diamine.
What is the SMILES notation for 4-methyl-2-N-phenylpyridine-2,5-diamine?
The canonical SMILES for 4-methyl-2-N-phenylpyridine-2,5-diamine is Cc1cc(Nc2ccccc2)ncc1N.
What is the InChIKey of 4-methyl-2-N-phenylpyridine-2,5-diamine?
The InChIKey is WKSWWZJTRLQHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-9-7-12(14-8-11(9)13)15-10-5-3-2-4-6-10/h2-8H,13H2,1H3,(H,14,15).
What are the key properties of 4-methyl-2-N-phenylpyridine-2,5-diamine?
4-methyl-2-N-phenylpyridine-2,5-diamine has a molecular weight of 199.26 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-N-phenylpyridine-2,5-diamine is sourced from PubChem (CID 79002285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).