2-cyclopropyl-5-(6-methoxy-3-pyridinyl)-3-propan-2-ylimidazol-4-amine

C15H20N4O — CID 114938267

IUPAC2-cyclopropyl-5-(6-methoxy-3-pyridinyl)-3-propan-2-ylimidazol-4-amine
SMILESCOc1ccc(-c2nc(C3CC3)n(C(C)C)c2N)cn1
InChIInChI=1S/C15H20N4O/c1-9(2)19-14(16)13(18-15(19)10-4-5-10)11-6-7-12(20-3)17-8-11/h6-10H,4-5,16H2,1-3H3
InChIKeyWUOCKJZJCCOEKU-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.99
Rot. Bonds4

About 2-cyclopropyl-5-(6-methoxy-3-pyridinyl)-3-propan-2-ylimidazol-4-amine

2-cyclopropyl-5-(6-methoxy-3-pyridinyl)-3-propan-2-ylimidazol-4-amine (PubChem CID 114938267) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-cyclopropyl-5-(6-methoxy-3-pyridinyl)-3-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-5-(6-methoxy-3-pyridinyl)-3-propan-2-ylimidazol-4-amine
PubChem CID114938267
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-cyclopropyl-5-(6-methoxy-3-pyridinyl)-3-propan-2-ylimidazol-4-amine
SMILESCOc1ccc(-c2nc(C3CC3)n(C(C)C)c2N)cn1
InChIInChI=1S/C15H20N4O/c1-9(2)19-14(16)13(18-15(19)10-4-5-10)11-6-7-12(20-3)17-8-11/h6-10H,4-5,16H2,1-3H3
InChIKeyWUOCKJZJCCOEKU-UHFFFAOYSA-N
XLogP2.99
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-(6-methoxy-3-pyridinyl)-3-propan-2-ylimidazol-4-amine?
The IUPAC name of 2-cyclopropyl-5-(6-methoxy-3-pyridinyl)-3-propan-2-ylimidazol-4-amine (CID 114938267) is 2-cyclopropyl-5-(6-methoxy-3-pyridinyl)-3-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 2-cyclopropyl-5-(6-methoxy-3-pyridinyl)-3-propan-2-ylimidazol-4-amine?
The canonical SMILES for 2-cyclopropyl-5-(6-methoxy-3-pyridinyl)-3-propan-2-ylimidazol-4-amine is COc1ccc(-c2nc(C3CC3)n(C(C)C)c2N)cn1.
What is the InChIKey of 2-cyclopropyl-5-(6-methoxy-3-pyridinyl)-3-propan-2-ylimidazol-4-amine?
The InChIKey is WUOCKJZJCCOEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-9(2)19-14(16)13(18-15(19)10-4-5-10)11-6-7-12(20-3)17-8-11/h6-10H,4-5,16H2,1-3H3.
What are the key properties of 2-cyclopropyl-5-(6-methoxy-3-pyridinyl)-3-propan-2-ylimidazol-4-amine?
2-cyclopropyl-5-(6-methoxy-3-pyridinyl)-3-propan-2-ylimidazol-4-amine has a molecular weight of 272.35 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-(6-methoxy-3-pyridinyl)-3-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 114938267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).