4-N-(3,4-dimethylphenyl)-2-N-methylpyridine-2,4-diamine

C14H17N3 — CID 113367409

IUPAC4-N-(3,4-dimethylphenyl)-2-N-methylpyridine-2,4-diamine
SMILESCNc1cc(Nc2ccc(C)c(C)c2)ccn1
InChIInChI=1S/C14H17N3/c1-10-4-5-12(8-11(10)2)17-13-6-7-16-14(9-13)15-3/h4-9H,1-3H3,(H2,15,16,17)
InChIKeyFDGUWGOTARETQP-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.48
Rot. Bonds3

About 4-N-(3,4-dimethylphenyl)-2-N-methylpyridine-2,4-diamine

4-N-(3,4-dimethylphenyl)-2-N-methylpyridine-2,4-diamine (PubChem CID 113367409) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-N-(3,4-dimethylphenyl)-2-N-methylpyridine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3,4-dimethylphenyl)-2-N-methylpyridine-2,4-diamine
PubChem CID113367409
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name4-N-(3,4-dimethylphenyl)-2-N-methylpyridine-2,4-diamine
SMILESCNc1cc(Nc2ccc(C)c(C)c2)ccn1
InChIInChI=1S/C14H17N3/c1-10-4-5-12(8-11(10)2)17-13-6-7-16-14(9-13)15-3/h4-9H,1-3H3,(H2,15,16,17)
InChIKeyFDGUWGOTARETQP-UHFFFAOYSA-N
XLogP3.48
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(3-fluoro-5-methylphenyl)-2-N-methylpyridine-2,4-diamine
CID 113367935
4-N-(4-bromo-3-chlorophenyl)-2-N-methylpyridine-2,4-diamine
CID 107617821
6-N-(3,4-dimethylphenyl)-2-N-methylpyridine-2,6-diamine
CID 80755260
2-N-methyl-4-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,4-diamine
CID 107647069
2-N,4-N-bis(3,4-dimethylphenyl)pyrimidine-2,4-diamine;hydrochloride
CID 71671107
N-[2-(methylamino)-4-pyridinyl]acetamide
CID 118178199
4-N-(3,4-dimethylphenyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956276
4-N-(3,4-dimethylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 139604467
N,4-dimethylpyridin-2-amine;hydrochloride
CID 54595444
4-N-(5-bromo-2-methoxyphenyl)-2-N-methylpyridine-2,4-diamine
CID 113367654
4-N-(3,4-dimethylphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80754824
N-(3,4-dimethylphenyl)pyridin-3-amine
CID 82537517

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-dimethylphenyl)-2-N-methylpyridine-2,4-diamine?
The IUPAC name of 4-N-(3,4-dimethylphenyl)-2-N-methylpyridine-2,4-diamine (CID 113367409) is 4-N-(3,4-dimethylphenyl)-2-N-methylpyridine-2,4-diamine.
What is the SMILES notation for 4-N-(3,4-dimethylphenyl)-2-N-methylpyridine-2,4-diamine?
The canonical SMILES for 4-N-(3,4-dimethylphenyl)-2-N-methylpyridine-2,4-diamine is CNc1cc(Nc2ccc(C)c(C)c2)ccn1.
What is the InChIKey of 4-N-(3,4-dimethylphenyl)-2-N-methylpyridine-2,4-diamine?
The InChIKey is FDGUWGOTARETQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-10-4-5-12(8-11(10)2)17-13-6-7-16-14(9-13)15-3/h4-9H,1-3H3,(H2,15,16,17).
What are the key properties of 4-N-(3,4-dimethylphenyl)-2-N-methylpyridine-2,4-diamine?
4-N-(3,4-dimethylphenyl)-2-N-methylpyridine-2,4-diamine has a molecular weight of 227.31 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-dimethylphenyl)-2-N-methylpyridine-2,4-diamine is sourced from PubChem (CID 113367409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).