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

C10H12N6O — CID 117092912

IUPAC2-[[2-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]ethanol
SMILESOCCNc1ccnc(Nc2cnccn2)n1
InChIInChI=1S/C10H12N6O/c17-6-5-13-8-1-2-14-10(15-8)16-9-7-11-3-4-12-9/h1-4,7,17H,5-6H2,(H2,12,13,14,15,16)
InChIKeyVASGAOQHGWAOHS-UHFFFAOYSA-N
MW232.25 g/mol
LogP0.41
Rot. Bonds5

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

2-[[2-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]ethanol (PubChem CID 117092912) has the molecular formula C10H12N6O and a molecular weight of 232.25 g/mol. Its IUPAC name is 2-[[2-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]ethanol
PubChem CID117092912
Molecular FormulaC10H12N6O
Molecular Weight232.25 g/mol
Exact Mass232.11
IUPAC Name2-[[2-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]ethanol
SMILESOCCNc1ccnc(Nc2cnccn2)n1
InChIInChI=1S/C10H12N6O/c17-6-5-13-8-1-2-14-10(15-8)16-9-7-11-3-4-12-9/h1-4,7,17H,5-6H2,(H2,12,13,14,15,16)
InChIKeyVASGAOQHGWAOHS-UHFFFAOYSA-N
XLogP0.41
TPSA95.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[2-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]ethanol (CID 117092912) is 2-[[2-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[2-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]ethanol is OCCNc1ccnc(Nc2cnccn2)n1.
What is the InChIKey of 2-[[2-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]ethanol?
The InChIKey is VASGAOQHGWAOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O/c17-6-5-13-8-1-2-14-10(15-8)16-9-7-11-3-4-12-9/h1-4,7,17H,5-6H2,(H2,12,13,14,15,16).
What are the key properties of 2-[[2-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]ethanol?
2-[[2-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]ethanol has a molecular weight of 232.25 g/mol, XLogP of 0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 117092912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).