2-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-2,5-diamine

C12H14N4O — CID 62989531

IUPAC2-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-2,5-diamine
SMILESCOc1ccc(CNc2ccc(N)cn2)cn1
InChIInChI=1S/C12H14N4O/c1-17-12-5-2-9(7-16-12)6-14-11-4-3-10(13)8-15-11/h2-5,7-8H,6,13H2,1H3,(H,14,15)
InChIKeyKTCAXXYQGLOLFD-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.68
Rot. Bonds4

About 2-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-2,5-diamine

2-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-2,5-diamine (PubChem CID 62989531) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-2,5-diamine
PubChem CID62989531
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name2-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-2,5-diamine
SMILESCOc1ccc(CNc2ccc(N)cn2)cn1
InChIInChI=1S/C12H14N4O/c1-17-12-5-2-9(7-16-12)6-14-11-4-3-10(13)8-15-11/h2-5,7-8H,6,13H2,1H3,(H,14,15)
InChIKeyKTCAXXYQGLOLFD-UHFFFAOYSA-N
XLogP1.68
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,5-diamine
CID 62989885
4-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 80831883
N-[(6-methoxy-3-pyridinyl)methyl]pyrazin-2-amine
CID 60710836
ethane;N-[(6-methoxy-3-pyridinyl)methyl]-5,6-dimethylpyridin-2-amine
CID 143898459
5-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyridin-2-amine
CID 115773877
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62292084
1-(4-aminophenyl)-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 62991565
4-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936317
N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-5-amine
CID 107588350
2-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-amine
CID 133331625
6-ethyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-amine
CID 55140338
6-chloro-2-N-[(6-methoxy-3-pyridinyl)methyl]-1,3,5-triazine-2,4-diamine
CID 80831002

Frequently Asked Questions

What is the IUPAC name of 2-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-2,5-diamine?
The IUPAC name of 2-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-2,5-diamine (CID 62989531) is 2-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-2,5-diamine.
What is the SMILES notation for 2-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-2,5-diamine?
The canonical SMILES for 2-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-2,5-diamine is COc1ccc(CNc2ccc(N)cn2)cn1.
What is the InChIKey of 2-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-2,5-diamine?
The InChIKey is KTCAXXYQGLOLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-17-12-5-2-9(7-16-12)6-14-11-4-3-10(13)8-15-11/h2-5,7-8H,6,13H2,1H3,(H,14,15).
What are the key properties of 2-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-2,5-diamine?
2-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-2,5-diamine has a molecular weight of 230.27 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-2,5-diamine is sourced from PubChem (CID 62989531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).