2-[[2-amino-6-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]ethanol

C10H13N7O — CID 117087610

IUPAC2-[[2-amino-6-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]ethanol
SMILESNc1nc(NCCO)cc(Nc2cnccn2)n1
InChIInChI=1S/C10H13N7O/c11-10-16-7(14-3-4-18)5-8(17-10)15-9-6-12-1-2-13-9/h1-2,5-6,18H,3-4H2,(H4,11,13,14,15,16,17)
InChIKeyCJFCZFUVKOFPCU-UHFFFAOYSA-N
MW247.26 g/mol
LogP-0.00
Rot. Bonds5

About 2-[[2-amino-6-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]ethanol

2-[[2-amino-6-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]ethanol (PubChem CID 117087610) has the molecular formula C10H13N7O and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-[[2-amino-6-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-amino-6-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]ethanol
PubChem CID117087610
Molecular FormulaC10H13N7O
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name2-[[2-amino-6-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]ethanol
SMILESNc1nc(NCCO)cc(Nc2cnccn2)n1
InChIInChI=1S/C10H13N7O/c11-10-16-7(14-3-4-18)5-8(17-10)15-9-6-12-1-2-13-9/h1-2,5-6,18H,3-4H2,(H4,11,13,14,15,16,17)
InChIKeyCJFCZFUVKOFPCU-UHFFFAOYSA-N
XLogP-0.00
TPSA121.87 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 5-0.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-6-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[2-amino-6-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]ethanol (CID 117087610) is 2-[[2-amino-6-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-amino-6-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[2-amino-6-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]ethanol is Nc1nc(NCCO)cc(Nc2cnccn2)n1.
What is the InChIKey of 2-[[2-amino-6-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]ethanol?
The InChIKey is CJFCZFUVKOFPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7O/c11-10-16-7(14-3-4-18)5-8(17-10)15-9-6-12-1-2-13-9/h1-2,5-6,18H,3-4H2,(H4,11,13,14,15,16,17).
What are the key properties of 2-[[2-amino-6-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]ethanol?
2-[[2-amino-6-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]ethanol has a molecular weight of 247.26 g/mol, XLogP of -0.00, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-6-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 117087610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).