4-[[4-methanimidoyl-3-(methylamino)phenyl]methyl]pyridine-2,6-diamine

C14H17N5 — CID 145270369

IUPAC4-[[4-methanimidoyl-3-(methylamino)phenyl]methyl]pyridine-2,6-diamine
SMILES[H]/N=C/c1ccc(Cc2cc(N)nc(N)c2)cc1NC
InChIInChI=1S/C14H17N5/c1-18-12-5-9(2-3-11(12)8-15)4-10-6-13(16)19-14(17)7-10/h2-3,5-8,15,18H,4H2,1H3,(H4,16,17,19)/b15-8+
InChIKeyTVUDOMRYEBCOJY-OVCLIPMQSA-N
MW255.32 g/mol
LogP1.88
Rot. Bonds4

About 4-[[4-methanimidoyl-3-(methylamino)phenyl]methyl]pyridine-2,6-diamine

4-[[4-methanimidoyl-3-(methylamino)phenyl]methyl]pyridine-2,6-diamine (PubChem CID 145270369) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-[[4-methanimidoyl-3-(methylamino)phenyl]methyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name4-[[4-methanimidoyl-3-(methylamino)phenyl]methyl]pyridine-2,6-diamine
PubChem CID145270369
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name4-[[4-methanimidoyl-3-(methylamino)phenyl]methyl]pyridine-2,6-diamine
SMILES[H]/N=C/c1ccc(Cc2cc(N)nc(N)c2)cc1NC
InChIInChI=1S/C14H17N5/c1-18-12-5-9(2-3-11(12)8-15)4-10-6-13(16)19-14(17)7-10/h2-3,5-8,15,18H,4H2,1H3,(H4,16,17,19)/b15-8+
InChIKeyTVUDOMRYEBCOJY-OVCLIPMQSA-N
XLogP1.88
TPSA100.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-2-methanimidoyl-N-methylaniline
CID 143482570
4-methanimidoyl-3-N,6-dimethylbenzene-1,3-diamine
CID 146283933
2-methanimidoyl-N-methyl-5-quinolin-7-ylaniline
CID 138656323
2-iodo-4-methanimidoyl-3-N-methylbenzene-1,3-diamine
CID 146622314
2-methanimidoyl-5-propylaniline
CID 143067906
(3S)-3-[4-[[4-methanimidoyl-3-(methylamino)phenyl]methoxy]phenyl]-3-(1,2-oxazol-3-yl)propanoic acid
CID 144624243
ethane;4-methanimidoyl-3-N-propan-2-ylbenzene-1,3-diamine
CID 177244096
4-(aminomethyl)-2-methanimidoylaniline;ethane
CID 143089869
4-N-[(2S)-butan-2-yl]-2-N-[4-methanimidoyl-3-(methylamino)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 143436986
4-methanimidoyl-3-N-(3-methylphenyl)benzene-1,3-diamine
CID 155713764
ethane;2-methanimidoyl-5-[(1-methylcyclopropyl)methyl]aniline
CID 144912566
ethane;2-methanimidoyl-N,4-dimethyl-5-propan-2-ylaniline
CID 176694219

Frequently Asked Questions

What is the IUPAC name of 4-[[4-methanimidoyl-3-(methylamino)phenyl]methyl]pyridine-2,6-diamine?
The IUPAC name of 4-[[4-methanimidoyl-3-(methylamino)phenyl]methyl]pyridine-2,6-diamine (CID 145270369) is 4-[[4-methanimidoyl-3-(methylamino)phenyl]methyl]pyridine-2,6-diamine.
What is the SMILES notation for 4-[[4-methanimidoyl-3-(methylamino)phenyl]methyl]pyridine-2,6-diamine?
The canonical SMILES for 4-[[4-methanimidoyl-3-(methylamino)phenyl]methyl]pyridine-2,6-diamine is [H]/N=C/c1ccc(Cc2cc(N)nc(N)c2)cc1NC.
What is the InChIKey of 4-[[4-methanimidoyl-3-(methylamino)phenyl]methyl]pyridine-2,6-diamine?
The InChIKey is TVUDOMRYEBCOJY-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H17N5/c1-18-12-5-9(2-3-11(12)8-15)4-10-6-13(16)19-14(17)7-10/h2-3,5-8,15,18H,4H2,1H3,(H4,16,17,19)/b15-8+.
What are the key properties of 4-[[4-methanimidoyl-3-(methylamino)phenyl]methyl]pyridine-2,6-diamine?
4-[[4-methanimidoyl-3-(methylamino)phenyl]methyl]pyridine-2,6-diamine has a molecular weight of 255.32 g/mol, XLogP of 1.88, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-methanimidoyl-3-(methylamino)phenyl]methyl]pyridine-2,6-diamine is sourced from PubChem (CID 145270369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).