[3-(6-methoxy-3-pyridinyl)imidazol-4-yl]-(oxolan-3-yl)methanamine

C14H18N4O2 — CID 114716228

IUPAC[3-(6-methoxy-3-pyridinyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
SMILESCOc1ccc(-n2cncc2C(N)C2CCOC2)cn1
InChIInChI=1S/C14H18N4O2/c1-19-13-3-2-11(6-17-13)18-9-16-7-12(18)14(15)10-4-5-20-8-10/h2-3,6-7,9-10,14H,4-5,8,15H2,1H3
InChIKeyBAIOAUFCDJAULQ-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.31
Rot. Bonds4

About [3-(6-methoxy-3-pyridinyl)imidazol-4-yl]-(oxolan-3-yl)methanamine

[3-(6-methoxy-3-pyridinyl)imidazol-4-yl]-(oxolan-3-yl)methanamine (PubChem CID 114716228) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is [3-(6-methoxy-3-pyridinyl)imidazol-4-yl]-(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name[3-(6-methoxy-3-pyridinyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
PubChem CID114716228
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name[3-(6-methoxy-3-pyridinyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
SMILESCOc1ccc(-n2cncc2C(N)C2CCOC2)cn1
InChIInChI=1S/C14H18N4O2/c1-19-13-3-2-11(6-17-13)18-9-16-7-12(18)14(15)10-4-5-20-8-10/h2-3,6-7,9-10,14H,4-5,8,15H2,1H3
InChIKeyBAIOAUFCDJAULQ-UHFFFAOYSA-N
XLogP1.31
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Hexyloxy-5-imidazol-1-yl-pyridine
CID 44341439
N-(1H-imidazol-5-ylmethyl)-6-methoxy-N-propan-2-ylpyridin-2-amine
CID 59728103
5-(1H-imidazol-1-ylmethyl)-6'-methoxy-2,3'-bipyridine
CID 67516160
3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-phenyl-5,6-dihydro-2H-1,2,4-oxadiazine
CID 124127322
5-(4-Methoxy-phenyl)-1-(tetrahydro-furan-2-ylmethyl)-1H-imidazol-2-ylamine
CID 652466
US10071984, Example 4
CID 136214387
US10071984, Example 25
CID 136214408
US10071984, Example 41
CID 136214424
US11026923, Example 132
CID 138746516
US11026923, Example 130
CID 138746776
6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-N-methylpyrazin-2-amine
CID 49795235
US10071984, Example 7
CID 136214390

Frequently Asked Questions

What is the IUPAC name of [3-(6-methoxy-3-pyridinyl)imidazol-4-yl]-(oxolan-3-yl)methanamine?
The IUPAC name of [3-(6-methoxy-3-pyridinyl)imidazol-4-yl]-(oxolan-3-yl)methanamine (CID 114716228) is [3-(6-methoxy-3-pyridinyl)imidazol-4-yl]-(oxolan-3-yl)methanamine.
What is the SMILES notation for [3-(6-methoxy-3-pyridinyl)imidazol-4-yl]-(oxolan-3-yl)methanamine?
The canonical SMILES for [3-(6-methoxy-3-pyridinyl)imidazol-4-yl]-(oxolan-3-yl)methanamine is COc1ccc(-n2cncc2C(N)C2CCOC2)cn1.
What is the InChIKey of [3-(6-methoxy-3-pyridinyl)imidazol-4-yl]-(oxolan-3-yl)methanamine?
The InChIKey is BAIOAUFCDJAULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-19-13-3-2-11(6-17-13)18-9-16-7-12(18)14(15)10-4-5-20-8-10/h2-3,6-7,9-10,14H,4-5,8,15H2,1H3.
What are the key properties of [3-(6-methoxy-3-pyridinyl)imidazol-4-yl]-(oxolan-3-yl)methanamine?
[3-(6-methoxy-3-pyridinyl)imidazol-4-yl]-(oxolan-3-yl)methanamine has a molecular weight of 274.32 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-methoxy-3-pyridinyl)imidazol-4-yl]-(oxolan-3-yl)methanamine is sourced from PubChem (CID 114716228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).