2-[(2R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)azepan-2-yl]ethanol

C15H22N4O — CID 164640679

IUPAC2-[(2R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)azepan-2-yl]ethanol
SMILESOCC[C@H]1CCCCCN1Cc1cn2cccnc2n1
InChIInChI=1S/C15H22N4O/c20-10-6-14-5-2-1-3-8-18(14)11-13-12-19-9-4-7-16-15(19)17-13/h4,7,9,12,14,20H,1-3,5-6,8,10-11H2/t14-/m1/s1
InChIKeyQGQVGRVRZRPLBC-CQSZACIVSA-N
MW274.37 g/mol
LogP1.86
Rot. Bonds4

About 2-[(2R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)azepan-2-yl]ethanol

2-[(2R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)azepan-2-yl]ethanol (PubChem CID 164640679) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-[(2R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)azepan-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)azepan-2-yl]ethanol
PubChem CID164640679
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-[(2R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)azepan-2-yl]ethanol
SMILESOCC[C@H]1CCCCCN1Cc1cn2cccnc2n1
InChIInChI=1S/C15H22N4O/c20-10-6-14-5-2-1-3-8-18(14)11-13-12-19-9-4-7-16-15(19)17-13/h4,7,9,12,14,20H,1-3,5-6,8,10-11H2/t14-/m1/s1
InChIKeyQGQVGRVRZRPLBC-CQSZACIVSA-N
XLogP1.86
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)azepan-2-yl]ethanol?
The IUPAC name of 2-[(2R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)azepan-2-yl]ethanol (CID 164640679) is 2-[(2R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)azepan-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)azepan-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)azepan-2-yl]ethanol is OCC[C@H]1CCCCCN1Cc1cn2cccnc2n1.
What is the InChIKey of 2-[(2R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)azepan-2-yl]ethanol?
The InChIKey is QGQVGRVRZRPLBC-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22N4O/c20-10-6-14-5-2-1-3-8-18(14)11-13-12-19-9-4-7-16-15(19)17-13/h4,7,9,12,14,20H,1-3,5-6,8,10-11H2/t14-/m1/s1.
What are the key properties of 2-[(2R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)azepan-2-yl]ethanol?
2-[(2R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)azepan-2-yl]ethanol has a molecular weight of 274.37 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)azepan-2-yl]ethanol is sourced from PubChem (CID 164640679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).