5-N-[3-(dimethylamino)phenyl]pyridine-2,5-diamine

C13H16N4 — CID 113297468

IUPAC5-N-[3-(dimethylamino)phenyl]pyridine-2,5-diamine
SMILESCN(C)c1cccc(Nc2ccc(N)nc2)c1
InChIInChI=1S/C13H16N4/c1-17(2)12-5-3-4-10(8-12)16-11-6-7-13(14)15-9-11/h3-9,16H,1-2H3,(H2,14,15)
InChIKeyUINBRKPALBMNHE-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.47
Rot. Bonds3

About 5-N-[3-(dimethylamino)phenyl]pyridine-2,5-diamine

5-N-[3-(dimethylamino)phenyl]pyridine-2,5-diamine (PubChem CID 113297468) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 5-N-[3-(dimethylamino)phenyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-[3-(dimethylamino)phenyl]pyridine-2,5-diamine
PubChem CID113297468
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name5-N-[3-(dimethylamino)phenyl]pyridine-2,5-diamine
SMILESCN(C)c1cccc(Nc2ccc(N)nc2)c1
InChIInChI=1S/C13H16N4/c1-17(2)12-5-3-4-10(8-12)16-11-6-7-13(14)15-9-11/h3-9,16H,1-2H3,(H2,14,15)
InChIKeyUINBRKPALBMNHE-UHFFFAOYSA-N
XLogP2.47
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-[3-(dimethylamino)phenyl]benzene-1,3-diamine
CID 115376107
3-N,3-N-dimethyl-1-N-pyridin-3-ylbenzene-1,3-diamine
CID 82537509
4-N-[3-(dimethylamino)phenyl]pyrimidine-4,6-diamine
CID 66669910
6-amino-N-[3-(dimethylamino)phenyl]pyridine-3-sulfonamide
CID 115375852
4-N-[3-(dimethylamino)phenyl]-2-methoxybenzene-1,4-diamine
CID 66739762
2-N-[3-(dimethylamino)phenyl]pyridine-2,3-diamine
CID 115376029
5-N-(2-methyl-4-pyridinyl)pyridine-2,5-diamine
CID 157043905
4-N-[3-(dimethylamino)phenyl]quinoline-3,4-diamine
CID 103963515
1-N-(5-bromo-2-pyridinyl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115379125
4-N-[3-(dimethylamino)phenyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772648
1-N-(6-hydrazinyl-5-methylpyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 113297977
3-chloro-2-N-[3-(dimethylamino)phenyl]benzene-1,2-diamine
CID 113297464

Frequently Asked Questions

What is the IUPAC name of 5-N-[3-(dimethylamino)phenyl]pyridine-2,5-diamine?
The IUPAC name of 5-N-[3-(dimethylamino)phenyl]pyridine-2,5-diamine (CID 113297468) is 5-N-[3-(dimethylamino)phenyl]pyridine-2,5-diamine.
What is the SMILES notation for 5-N-[3-(dimethylamino)phenyl]pyridine-2,5-diamine?
The canonical SMILES for 5-N-[3-(dimethylamino)phenyl]pyridine-2,5-diamine is CN(C)c1cccc(Nc2ccc(N)nc2)c1.
What is the InChIKey of 5-N-[3-(dimethylamino)phenyl]pyridine-2,5-diamine?
The InChIKey is UINBRKPALBMNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-17(2)12-5-3-4-10(8-12)16-11-6-7-13(14)15-9-11/h3-9,16H,1-2H3,(H2,14,15).
What are the key properties of 5-N-[3-(dimethylamino)phenyl]pyridine-2,5-diamine?
5-N-[3-(dimethylamino)phenyl]pyridine-2,5-diamine has a molecular weight of 228.30 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[3-(dimethylamino)phenyl]pyridine-2,5-diamine is sourced from PubChem (CID 113297468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).