4-N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-1H-imidazole-4,5-diamine

C11H15N5O — CID 114993686

IUPAC4-N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-1H-imidazole-4,5-diamine
SMILESCOc1ccc(CNc2nc(C)[nH]c2N)cn1
InChIInChI=1S/C11H15N5O/c1-7-15-10(12)11(16-7)14-6-8-3-4-9(17-2)13-5-8/h3-5,14H,6,12H2,1-2H3,(H,15,16)
InChIKeyXRCMNBYKGXGLTD-UHFFFAOYSA-N
MW233.28 g/mol
LogP1.32
Rot. Bonds4

About 4-N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-1H-imidazole-4,5-diamine

4-N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-1H-imidazole-4,5-diamine (PubChem CID 114993686) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is 4-N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-1H-imidazole-4,5-diamine.

Molecular Properties

Compound Name4-N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-1H-imidazole-4,5-diamine
PubChem CID114993686
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name4-N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-1H-imidazole-4,5-diamine
SMILESCOc1ccc(CNc2nc(C)[nH]c2N)cn1
InChIInChI=1S/C11H15N5O/c1-7-15-10(12)11(16-7)14-6-8-3-4-9(17-2)13-5-8/h3-5,14H,6,12H2,1-2H3,(H,15,16)
InChIKeyXRCMNBYKGXGLTD-UHFFFAOYSA-N
XLogP1.32
TPSA88.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-1H-imidazole-4,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylpyridine-2,3-diamine
CID 81132825
4-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327524
4-[(6-methoxy-3-pyridinyl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136975577
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
4-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936317
3-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyrazin-2-amine
CID 55140355
N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrimidin-2-amine
CID 62996638
2-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-2,5-diamine
CID 62989531
6-chloro-2-N-[(6-methoxy-3-pyridinyl)methyl]-1,3,5-triazine-2,4-diamine
CID 80831002
4-N-[(6-methoxy-3-pyridinyl)methyl]-5-propylpyrimidine-4,6-diamine
CID 80831148
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylquinolin-2-amine
CID 63228854

Frequently Asked Questions

What is the IUPAC name of 4-N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-1H-imidazole-4,5-diamine?
The IUPAC name of 4-N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-1H-imidazole-4,5-diamine (CID 114993686) is 4-N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-1H-imidazole-4,5-diamine.
What is the SMILES notation for 4-N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-1H-imidazole-4,5-diamine?
The canonical SMILES for 4-N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-1H-imidazole-4,5-diamine is COc1ccc(CNc2nc(C)[nH]c2N)cn1.
What is the InChIKey of 4-N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-1H-imidazole-4,5-diamine?
The InChIKey is XRCMNBYKGXGLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-7-15-10(12)11(16-7)14-6-8-3-4-9(17-2)13-5-8/h3-5,14H,6,12H2,1-2H3,(H,15,16).
What are the key properties of 4-N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-1H-imidazole-4,5-diamine?
4-N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-1H-imidazole-4,5-diamine has a molecular weight of 233.28 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-1H-imidazole-4,5-diamine is sourced from PubChem (CID 114993686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).