6-methyl-2-N-[4-(2-methylpropyl)phenyl]pyridine-2,5-diamine

C16H21N3 — CID 115147540

IUPAC6-methyl-2-N-[4-(2-methylpropyl)phenyl]pyridine-2,5-diamine
SMILESCc1nc(Nc2ccc(CC(C)C)cc2)ccc1N
InChIInChI=1S/C16H21N3/c1-11(2)10-13-4-6-14(7-5-13)19-16-9-8-15(17)12(3)18-16/h4-9,11H,10,17H2,1-3H3,(H,18,19)
InChIKeyFTPHTSUQADGBFA-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.91
Rot. Bonds4

About 6-methyl-2-N-[4-(2-methylpropyl)phenyl]pyridine-2,5-diamine

6-methyl-2-N-[4-(2-methylpropyl)phenyl]pyridine-2,5-diamine (PubChem CID 115147540) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 6-methyl-2-N-[4-(2-methylpropyl)phenyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name6-methyl-2-N-[4-(2-methylpropyl)phenyl]pyridine-2,5-diamine
PubChem CID115147540
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name6-methyl-2-N-[4-(2-methylpropyl)phenyl]pyridine-2,5-diamine
SMILESCc1nc(Nc2ccc(CC(C)C)cc2)ccc1N
InChIInChI=1S/C16H21N3/c1-11(2)10-13-4-6-14(7-5-13)19-16-9-8-15(17)12(3)18-16/h4-9,11H,10,17H2,1-3H3,(H,18,19)
InChIKeyFTPHTSUQADGBFA-UHFFFAOYSA-N
XLogP3.91
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-amino-6-methyl-2-pyridinyl)amino]phenol
CID 82061104
2-N-[4-(diethylamino)phenyl]-6-methylpyridine-2,5-diamine
CID 79020665
6-N-(4-propylphenyl)pyridine-2,3,6-triamine
CID 79827008
5-bromo-4-methyl-N-[4-(2-methylpropyl)phenyl]pyridin-2-amine
CID 115146959
2-N-(4-ethylphenyl)-6-methoxypyridine-2,5-diamine
CID 43261633
6-methyl-2-N-(2,2,4-trimethylpentyl)pyridine-2,5-diamine
CID 115147791
6-methyl-2-N-(5-methylhexyl)pyridine-2,5-diamine
CID 115324773
2-N-(1,3-benzothiazol-6-yl)-6-methylpyridine-2,5-diamine
CID 107802793
4-[6-[4-(2-methylpropyl)anilino]-3-pyridinyl]benzonitrile
CID 166471244
2-[4-[(5-amino-6-propoxy-2-pyridinyl)amino]phenyl]acetonitrile
CID 62301180
2-N-[3-bromo-4-(trifluoromethoxy)phenyl]-6-methylpyridine-2,5-diamine
CID 107335763
2-N-(4-butylphenyl)-6-ethoxypyridine-2,5-diamine
CID 43378425

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-[4-(2-methylpropyl)phenyl]pyridine-2,5-diamine?
The IUPAC name of 6-methyl-2-N-[4-(2-methylpropyl)phenyl]pyridine-2,5-diamine (CID 115147540) is 6-methyl-2-N-[4-(2-methylpropyl)phenyl]pyridine-2,5-diamine.
What is the SMILES notation for 6-methyl-2-N-[4-(2-methylpropyl)phenyl]pyridine-2,5-diamine?
The canonical SMILES for 6-methyl-2-N-[4-(2-methylpropyl)phenyl]pyridine-2,5-diamine is Cc1nc(Nc2ccc(CC(C)C)cc2)ccc1N.
What is the InChIKey of 6-methyl-2-N-[4-(2-methylpropyl)phenyl]pyridine-2,5-diamine?
The InChIKey is FTPHTSUQADGBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-11(2)10-13-4-6-14(7-5-13)19-16-9-8-15(17)12(3)18-16/h4-9,11H,10,17H2,1-3H3,(H,18,19).
What are the key properties of 6-methyl-2-N-[4-(2-methylpropyl)phenyl]pyridine-2,5-diamine?
6-methyl-2-N-[4-(2-methylpropyl)phenyl]pyridine-2,5-diamine has a molecular weight of 255.37 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-[4-(2-methylpropyl)phenyl]pyridine-2,5-diamine is sourced from PubChem (CID 115147540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).