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

C13H16N4O — CID 81132825

IUPAC2-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylpyridine-2,3-diamine
SMILESCOc1ccc(CNc2nc(C)ccc2N)cn1
InChIInChI=1S/C13H16N4O/c1-9-3-5-11(14)13(17-9)16-8-10-4-6-12(18-2)15-7-10/h3-7H,8,14H2,1-2H3,(H,16,17)
InChIKeyBJHQHXVPYCSABH-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.99
Rot. Bonds4

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

2-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylpyridine-2,3-diamine (PubChem CID 81132825) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylpyridine-2,3-diamine
PubChem CID81132825
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylpyridine-2,3-diamine
SMILESCOc1ccc(CNc2nc(C)ccc2N)cn1
InChIInChI=1S/C13H16N4O/c1-9-3-5-11(14)13(17-9)16-8-10-4-6-12(18-2)15-7-10/h3-7H,8,14H2,1-2H3,(H,16,17)
InChIKeyBJHQHXVPYCSABH-UHFFFAOYSA-N
XLogP1.99
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-1H-imidazole-4,5-diamine
CID 114993686
6-methoxy-2-N-[(4-methylphenyl)methyl]pyridine-2,3-diamine
CID 113286378
N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrimidin-2-amine
CID 62996638
6-methoxy-2-N-[(4-methoxyphenyl)methyl]pyridine-2,3-diamine
CID 115320291
2-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,5-diamine
CID 62989885
2-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2,3-diamine
CID 81131728
6-methyl-2-N-(pyridin-4-ylmethyl)pyridine-2,3-diamine
CID 79021830
4-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327524
4-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 80831883
4-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936317
3-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyrazin-2-amine
CID 55140355
2-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-2,5-diamine
CID 62989531

Frequently Asked Questions

What is the IUPAC name of 2-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylpyridine-2,3-diamine?
The IUPAC name of 2-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylpyridine-2,3-diamine (CID 81132825) is 2-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylpyridine-2,3-diamine?
The canonical SMILES for 2-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylpyridine-2,3-diamine is COc1ccc(CNc2nc(C)ccc2N)cn1.
What is the InChIKey of 2-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylpyridine-2,3-diamine?
The InChIKey is BJHQHXVPYCSABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-3-5-11(14)13(17-9)16-8-10-4-6-12(18-2)15-7-10/h3-7H,8,14H2,1-2H3,(H,16,17).
What are the key properties of 2-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylpyridine-2,3-diamine?
2-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylpyridine-2,3-diamine has a molecular weight of 244.30 g/mol, XLogP of 1.99, 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]-6-methylpyridine-2,3-diamine is sourced from PubChem (CID 81132825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).