6-(2-methylimidazol-1-yl)-N-(2-methyloxolan-3-yl)pyridin-3-amine

C14H18N4O — CID 82726882

IUPAC6-(2-methylimidazol-1-yl)-N-(2-methyloxolan-3-yl)pyridin-3-amine
SMILESCc1nccn1-c1ccc(NC2CCOC2C)cn1
InChIInChI=1S/C14H18N4O/c1-10-13(5-8-19-10)17-12-3-4-14(16-9-12)18-7-6-15-11(18)2/h3-4,6-7,9-10,13,17H,5,8H2,1-2H3
InChIKeyPZAIABOVFBFVJK-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.17
Rot. Bonds3

About 6-(2-methylimidazol-1-yl)-N-(2-methyloxolan-3-yl)pyridin-3-amine

6-(2-methylimidazol-1-yl)-N-(2-methyloxolan-3-yl)pyridin-3-amine (PubChem CID 82726882) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 6-(2-methylimidazol-1-yl)-N-(2-methyloxolan-3-yl)pyridin-3-amine.

Molecular Properties

Compound Name6-(2-methylimidazol-1-yl)-N-(2-methyloxolan-3-yl)pyridin-3-amine
PubChem CID82726882
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name6-(2-methylimidazol-1-yl)-N-(2-methyloxolan-3-yl)pyridin-3-amine
SMILESCc1nccn1-c1ccc(NC2CCOC2C)cn1
InChIInChI=1S/C14H18N4O/c1-10-13(5-8-19-10)17-12-3-4-14(16-9-12)18-7-6-15-11(18)2/h3-4,6-7,9-10,13,17H,5,8H2,1-2H3
InChIKeyPZAIABOVFBFVJK-UHFFFAOYSA-N
XLogP2.17
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylimidazol-1-yl)-N-(2-methyloxolan-3-yl)pyridin-3-amine?
The IUPAC name of 6-(2-methylimidazol-1-yl)-N-(2-methyloxolan-3-yl)pyridin-3-amine (CID 82726882) is 6-(2-methylimidazol-1-yl)-N-(2-methyloxolan-3-yl)pyridin-3-amine.
What is the SMILES notation for 6-(2-methylimidazol-1-yl)-N-(2-methyloxolan-3-yl)pyridin-3-amine?
The canonical SMILES for 6-(2-methylimidazol-1-yl)-N-(2-methyloxolan-3-yl)pyridin-3-amine is Cc1nccn1-c1ccc(NC2CCOC2C)cn1.
What is the InChIKey of 6-(2-methylimidazol-1-yl)-N-(2-methyloxolan-3-yl)pyridin-3-amine?
The InChIKey is PZAIABOVFBFVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-13(5-8-19-10)17-12-3-4-14(16-9-12)18-7-6-15-11(18)2/h3-4,6-7,9-10,13,17H,5,8H2,1-2H3.
What are the key properties of 6-(2-methylimidazol-1-yl)-N-(2-methyloxolan-3-yl)pyridin-3-amine?
6-(2-methylimidazol-1-yl)-N-(2-methyloxolan-3-yl)pyridin-3-amine has a molecular weight of 258.32 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylimidazol-1-yl)-N-(2-methyloxolan-3-yl)pyridin-3-amine is sourced from PubChem (CID 82726882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).