2-[benzyl-[[2-[(2R)-2-methyloxolan-2-yl]pyrimidin-4-yl]methyl]amino]ethanol

C19H25N3O2 — CID 125008931

IUPAC2-[benzyl-[[2-[(2R)-2-methyloxolan-2-yl]pyrimidin-4-yl]methyl]amino]ethanol
SMILESC[C@]1(c2nccc(CN(CCO)Cc3ccccc3)n2)CCCO1
InChIInChI=1S/C19H25N3O2/c1-19(9-5-13-24-19)18-20-10-8-17(21-18)15-22(11-12-23)14-16-6-3-2-4-7-16/h2-4,6-8,10,23H,5,9,11-15H2,1H3/t19-/m1/s1
InChIKeyUYQGVXMCCWVSSE-LJQANCHMSA-N
MW327.43 g/mol
LogP2.50
Rot. Bonds7

About 2-[benzyl-[[2-[(2R)-2-methyloxolan-2-yl]pyrimidin-4-yl]methyl]amino]ethanol

2-[benzyl-[[2-[(2R)-2-methyloxolan-2-yl]pyrimidin-4-yl]methyl]amino]ethanol (PubChem CID 125008931) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-[benzyl-[[2-[(2R)-2-methyloxolan-2-yl]pyrimidin-4-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[benzyl-[[2-[(2R)-2-methyloxolan-2-yl]pyrimidin-4-yl]methyl]amino]ethanol
PubChem CID125008931
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-[benzyl-[[2-[(2R)-2-methyloxolan-2-yl]pyrimidin-4-yl]methyl]amino]ethanol
SMILESC[C@]1(c2nccc(CN(CCO)Cc3ccccc3)n2)CCCO1
InChIInChI=1S/C19H25N3O2/c1-19(9-5-13-24-19)18-20-10-8-17(21-18)15-22(11-12-23)14-16-6-3-2-4-7-16/h2-4,6-8,10,23H,5,9,11-15H2,1H3/t19-/m1/s1
InChIKeyUYQGVXMCCWVSSE-LJQANCHMSA-N
XLogP2.50
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[[2-[(2R)-2-methyloxolan-2-yl]pyrimidin-4-yl]methyl]amino]ethanol?
The IUPAC name of 2-[benzyl-[[2-[(2R)-2-methyloxolan-2-yl]pyrimidin-4-yl]methyl]amino]ethanol (CID 125008931) is 2-[benzyl-[[2-[(2R)-2-methyloxolan-2-yl]pyrimidin-4-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[benzyl-[[2-[(2R)-2-methyloxolan-2-yl]pyrimidin-4-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[benzyl-[[2-[(2R)-2-methyloxolan-2-yl]pyrimidin-4-yl]methyl]amino]ethanol is C[C@]1(c2nccc(CN(CCO)Cc3ccccc3)n2)CCCO1.
What is the InChIKey of 2-[benzyl-[[2-[(2R)-2-methyloxolan-2-yl]pyrimidin-4-yl]methyl]amino]ethanol?
The InChIKey is UYQGVXMCCWVSSE-LJQANCHMSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-19(9-5-13-24-19)18-20-10-8-17(21-18)15-22(11-12-23)14-16-6-3-2-4-7-16/h2-4,6-8,10,23H,5,9,11-15H2,1H3/t19-/m1/s1.
What are the key properties of 2-[benzyl-[[2-[(2R)-2-methyloxolan-2-yl]pyrimidin-4-yl]methyl]amino]ethanol?
2-[benzyl-[[2-[(2R)-2-methyloxolan-2-yl]pyrimidin-4-yl]methyl]amino]ethanol has a molecular weight of 327.43 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[[2-[(2R)-2-methyloxolan-2-yl]pyrimidin-4-yl]methyl]amino]ethanol is sourced from PubChem (CID 125008931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).