2-[[5-methyl-2-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]ethanol

C11H14N6O — CID 117088622

IUPAC2-[[5-methyl-2-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]ethanol
SMILESCc1cnc(Nc2cnccn2)nc1NCCO
InChIInChI=1S/C11H14N6O/c1-8-6-15-11(17-10(8)14-4-5-18)16-9-7-12-2-3-13-9/h2-3,6-7,18H,4-5H2,1H3,(H2,13,14,15,16,17)
InChIKeyHFIBWHPFXVSPQU-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.72
Rot. Bonds5

About 2-[[5-methyl-2-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]ethanol

2-[[5-methyl-2-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]ethanol (PubChem CID 117088622) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-[[5-methyl-2-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[5-methyl-2-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]ethanol
PubChem CID117088622
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name2-[[5-methyl-2-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]ethanol
SMILESCc1cnc(Nc2cnccn2)nc1NCCO
InChIInChI=1S/C11H14N6O/c1-8-6-15-11(17-10(8)14-4-5-18)16-9-7-12-2-3-13-9/h2-3,6-7,18H,4-5H2,1H3,(H2,13,14,15,16,17)
InChIKeyHFIBWHPFXVSPQU-UHFFFAOYSA-N
XLogP0.72
TPSA95.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-methyl-2-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[5-methyl-2-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]ethanol (CID 117088622) is 2-[[5-methyl-2-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[5-methyl-2-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[5-methyl-2-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]ethanol is Cc1cnc(Nc2cnccn2)nc1NCCO.
What is the InChIKey of 2-[[5-methyl-2-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]ethanol?
The InChIKey is HFIBWHPFXVSPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c1-8-6-15-11(17-10(8)14-4-5-18)16-9-7-12-2-3-13-9/h2-3,6-7,18H,4-5H2,1H3,(H2,13,14,15,16,17).
What are the key properties of 2-[[5-methyl-2-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]ethanol?
2-[[5-methyl-2-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]ethanol has a molecular weight of 246.27 g/mol, XLogP of 0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-methyl-2-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 117088622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).