2-[benzyl-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]amino]ethanol

C15H19N3O2 — CID 83183770

IUPAC2-[benzyl-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]amino]ethanol
SMILESCc1nc(N(CCO)Cc2ccccc2)ncc1CO
InChIInChI=1S/C15H19N3O2/c1-12-14(11-20)9-16-15(17-12)18(7-8-19)10-13-5-3-2-4-6-13/h2-6,9,19-20H,7-8,10-11H2,1H3
InChIKeyHIQSKMHMYJVGNI-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.28
Rot. Bonds6

About 2-[benzyl-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]amino]ethanol

2-[benzyl-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]amino]ethanol (PubChem CID 83183770) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[benzyl-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[benzyl-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]amino]ethanol
PubChem CID83183770
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[benzyl-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]amino]ethanol
SMILESCc1nc(N(CCO)Cc2ccccc2)ncc1CO
InChIInChI=1S/C15H19N3O2/c1-12-14(11-20)9-16-15(17-12)18(7-8-19)10-13-5-3-2-4-6-13/h2-6,9,19-20H,7-8,10-11H2,1H3
InChIKeyHIQSKMHMYJVGNI-UHFFFAOYSA-N
XLogP1.28
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]amino]ethanol?
The IUPAC name of 2-[benzyl-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]amino]ethanol (CID 83183770) is 2-[benzyl-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[benzyl-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]amino]ethanol?
The canonical SMILES for 2-[benzyl-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]amino]ethanol is Cc1nc(N(CCO)Cc2ccccc2)ncc1CO.
What is the InChIKey of 2-[benzyl-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]amino]ethanol?
The InChIKey is HIQSKMHMYJVGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-12-14(11-20)9-16-15(17-12)18(7-8-19)10-13-5-3-2-4-6-13/h2-6,9,19-20H,7-8,10-11H2,1H3.
What are the key properties of 2-[benzyl-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]amino]ethanol?
2-[benzyl-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]amino]ethanol has a molecular weight of 273.34 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]amino]ethanol is sourced from PubChem (CID 83183770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).