2-[benzyl-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]amino]ethanol

C18H22N4O — CID 23790947

IUPAC2-[benzyl-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]amino]ethanol
SMILESCc1cc(C)n2cc(CN(CCO)Cc3ccccc3)nc2n1
InChIInChI=1S/C18H22N4O/c1-14-10-15(2)22-13-17(20-18(22)19-14)12-21(8-9-23)11-16-6-4-3-5-7-16/h3-7,10,13,23H,8-9,11-12H2,1-2H3
InChIKeyLUYXDRQJMGHQPM-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.34
Rot. Bonds6

About 2-[benzyl-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]amino]ethanol

2-[benzyl-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]amino]ethanol (PubChem CID 23790947) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-[benzyl-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[benzyl-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]amino]ethanol
PubChem CID23790947
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name2-[benzyl-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]amino]ethanol
SMILESCc1cc(C)n2cc(CN(CCO)Cc3ccccc3)nc2n1
InChIInChI=1S/C18H22N4O/c1-14-10-15(2)22-13-17(20-18(22)19-14)12-21(8-9-23)11-16-6-4-3-5-7-16/h3-7,10,13,23H,8-9,11-12H2,1-2H3
InChIKeyLUYXDRQJMGHQPM-UHFFFAOYSA-N
XLogP2.34
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]amino]ethanol?
The IUPAC name of 2-[benzyl-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]amino]ethanol (CID 23790947) is 2-[benzyl-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[benzyl-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[benzyl-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]amino]ethanol is Cc1cc(C)n2cc(CN(CCO)Cc3ccccc3)nc2n1.
What is the InChIKey of 2-[benzyl-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]amino]ethanol?
The InChIKey is LUYXDRQJMGHQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-14-10-15(2)22-13-17(20-18(22)19-14)12-21(8-9-23)11-16-6-4-3-5-7-16/h3-7,10,13,23H,8-9,11-12H2,1-2H3.
What are the key properties of 2-[benzyl-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]amino]ethanol?
2-[benzyl-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]amino]ethanol has a molecular weight of 310.40 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]amino]ethanol is sourced from PubChem (CID 23790947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).