6-N-[(3-methyl-4-pyridinyl)methyl]pyridine-2,6-diamine

C12H14N4 — CID 114702189

IUPAC6-N-[(3-methyl-4-pyridinyl)methyl]pyridine-2,6-diamine
SMILESCc1cnccc1CNc1cccc(N)n1
InChIInChI=1S/C12H14N4/c1-9-7-14-6-5-10(9)8-15-12-4-2-3-11(13)16-12/h2-7H,8H2,1H3,(H3,13,15,16)
InChIKeyXIISUNHYDVKZMP-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.98
Rot. Bonds3

About 6-N-[(3-methyl-4-pyridinyl)methyl]pyridine-2,6-diamine

6-N-[(3-methyl-4-pyridinyl)methyl]pyridine-2,6-diamine (PubChem CID 114702189) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 6-N-[(3-methyl-4-pyridinyl)methyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(3-methyl-4-pyridinyl)methyl]pyridine-2,6-diamine
PubChem CID114702189
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name6-N-[(3-methyl-4-pyridinyl)methyl]pyridine-2,6-diamine
SMILESCc1cnccc1CNc1cccc(N)n1
InChIInChI=1S/C12H14N4/c1-9-7-14-6-5-10(9)8-15-12-4-2-3-11(13)16-12/h2-7H,8H2,1H3,(H3,13,15,16)
InChIKeyXIISUNHYDVKZMP-UHFFFAOYSA-N
XLogP1.98
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3-methyl-4-pyridinyl)methylamino]pyridine-2-carbothioamide
CID 114700514
2-(methoxymethyl)-4-N-[(3-methyl-4-pyridinyl)methyl]pyrimidine-4,6-diamine
CID 114702220
2-methyl-4-N-[(3-methyl-4-pyridinyl)methyl]benzene-1,4-diamine
CID 114698439
6-N-ethyl-4-N-[(3-methyl-4-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 114702224
6-hydrazinyl-N-[(3-methyl-4-pyridinyl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 114702346
6-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-2,6-diamine
CID 80647149
2-methyl-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carbothioamide
CID 114768022
3-ethoxy-1-N-[(3-methyl-4-pyridinyl)methyl]benzene-1,2-diamine
CID 114698392
5-amino-2-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carboxamide
CID 114090671
6-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,6-diamine
CID 80646818
6-N-ethyl-4-N-[(3-methyl-4-pyridinyl)methyl]pyrimidine-4,6-diamine
CID 114702297
N-[(3-methyl-4-pyridinyl)methyl]-6-(propylamino)pyridine-2-carboxamide
CID 114701818

Frequently Asked Questions

What is the IUPAC name of 6-N-[(3-methyl-4-pyridinyl)methyl]pyridine-2,6-diamine?
The IUPAC name of 6-N-[(3-methyl-4-pyridinyl)methyl]pyridine-2,6-diamine (CID 114702189) is 6-N-[(3-methyl-4-pyridinyl)methyl]pyridine-2,6-diamine.
What is the SMILES notation for 6-N-[(3-methyl-4-pyridinyl)methyl]pyridine-2,6-diamine?
The canonical SMILES for 6-N-[(3-methyl-4-pyridinyl)methyl]pyridine-2,6-diamine is Cc1cnccc1CNc1cccc(N)n1.
What is the InChIKey of 6-N-[(3-methyl-4-pyridinyl)methyl]pyridine-2,6-diamine?
The InChIKey is XIISUNHYDVKZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-9-7-14-6-5-10(9)8-15-12-4-2-3-11(13)16-12/h2-7H,8H2,1H3,(H3,13,15,16).
What are the key properties of 6-N-[(3-methyl-4-pyridinyl)methyl]pyridine-2,6-diamine?
6-N-[(3-methyl-4-pyridinyl)methyl]pyridine-2,6-diamine has a molecular weight of 214.27 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(3-methyl-4-pyridinyl)methyl]pyridine-2,6-diamine is sourced from PubChem (CID 114702189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).