6-(2-methylimidazol-1-yl)-N-[(5-methyloxolan-2-yl)methyl]pyridin-3-amine

C15H20N4O — CID 82835638

IUPAC6-(2-methylimidazol-1-yl)-N-[(5-methyloxolan-2-yl)methyl]pyridin-3-amine
SMILESCc1nccn1-c1ccc(NCC2CCC(C)O2)cn1
InChIInChI=1S/C15H20N4O/c1-11-3-5-14(20-11)10-17-13-4-6-15(18-9-13)19-8-7-16-12(19)2/h4,6-9,11,14,17H,3,5,10H2,1-2H3
InChIKeyIYWYGBTXZCWMMY-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.56
Rot. Bonds4

About 6-(2-methylimidazol-1-yl)-N-[(5-methyloxolan-2-yl)methyl]pyridin-3-amine

6-(2-methylimidazol-1-yl)-N-[(5-methyloxolan-2-yl)methyl]pyridin-3-amine (PubChem CID 82835638) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 6-(2-methylimidazol-1-yl)-N-[(5-methyloxolan-2-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-(2-methylimidazol-1-yl)-N-[(5-methyloxolan-2-yl)methyl]pyridin-3-amine
PubChem CID82835638
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name6-(2-methylimidazol-1-yl)-N-[(5-methyloxolan-2-yl)methyl]pyridin-3-amine
SMILESCc1nccn1-c1ccc(NCC2CCC(C)O2)cn1
InChIInChI=1S/C15H20N4O/c1-11-3-5-14(20-11)10-17-13-4-6-15(18-9-13)19-8-7-16-12(19)2/h4,6-9,11,14,17H,3,5,10H2,1-2H3
InChIKeyIYWYGBTXZCWMMY-UHFFFAOYSA-N
XLogP2.56
TPSA51.97 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 ≤ 52.56
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-[(5-methyloxolan-2-yl)methyl]pyridin-3-amine?
The IUPAC name of 6-(2-methylimidazol-1-yl)-N-[(5-methyloxolan-2-yl)methyl]pyridin-3-amine (CID 82835638) is 6-(2-methylimidazol-1-yl)-N-[(5-methyloxolan-2-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 6-(2-methylimidazol-1-yl)-N-[(5-methyloxolan-2-yl)methyl]pyridin-3-amine?
The canonical SMILES for 6-(2-methylimidazol-1-yl)-N-[(5-methyloxolan-2-yl)methyl]pyridin-3-amine is Cc1nccn1-c1ccc(NCC2CCC(C)O2)cn1.
What is the InChIKey of 6-(2-methylimidazol-1-yl)-N-[(5-methyloxolan-2-yl)methyl]pyridin-3-amine?
The InChIKey is IYWYGBTXZCWMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11-3-5-14(20-11)10-17-13-4-6-15(18-9-13)19-8-7-16-12(19)2/h4,6-9,11,14,17H,3,5,10H2,1-2H3.
What are the key properties of 6-(2-methylimidazol-1-yl)-N-[(5-methyloxolan-2-yl)methyl]pyridin-3-amine?
6-(2-methylimidazol-1-yl)-N-[(5-methyloxolan-2-yl)methyl]pyridin-3-amine has a molecular weight of 272.35 g/mol, XLogP of 2.56, 4 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-[(5-methyloxolan-2-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 82835638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).