2-[2-[(4-amino-5-fluoropyrimidin-2-yl)amino]imidazol-1-yl]ethanol

C9H11FN6O — CID 126565156

IUPAC2-[2-[(4-amino-5-fluoropyrimidin-2-yl)amino]imidazol-1-yl]ethanol
SMILESNc1nc(Nc2nccn2CCO)ncc1F
InChIInChI=1S/C9H11FN6O/c10-6-5-13-8(14-7(6)11)15-9-12-1-2-16(9)3-4-17/h1-2,5,17H,3-4H2,(H3,11,12,13,14,15)
InChIKeyVUOFVHASKYKSPX-UHFFFAOYSA-N
MW238.23 g/mol
LogP0.13
Rot. Bonds4

About 2-[2-[(4-amino-5-fluoropyrimidin-2-yl)amino]imidazol-1-yl]ethanol

2-[2-[(4-amino-5-fluoropyrimidin-2-yl)amino]imidazol-1-yl]ethanol (PubChem CID 126565156) has the molecular formula C9H11FN6O and a molecular weight of 238.23 g/mol. Its IUPAC name is 2-[2-[(4-amino-5-fluoropyrimidin-2-yl)amino]imidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-[(4-amino-5-fluoropyrimidin-2-yl)amino]imidazol-1-yl]ethanol
PubChem CID126565156
Molecular FormulaC9H11FN6O
Molecular Weight238.23 g/mol
Exact Mass238.10
IUPAC Name2-[2-[(4-amino-5-fluoropyrimidin-2-yl)amino]imidazol-1-yl]ethanol
SMILESNc1nc(Nc2nccn2CCO)ncc1F
InChIInChI=1S/C9H11FN6O/c10-6-5-13-8(14-7(6)11)15-9-12-1-2-16(9)3-4-17/h1-2,5,17H,3-4H2,(H3,11,12,13,14,15)
InChIKeyVUOFVHASKYKSPX-UHFFFAOYSA-N
XLogP0.13
TPSA101.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-amino-5-fluoropyrimidin-2-yl)amino]imidazol-1-yl]ethanol?
The IUPAC name of 2-[2-[(4-amino-5-fluoropyrimidin-2-yl)amino]imidazol-1-yl]ethanol (CID 126565156) is 2-[2-[(4-amino-5-fluoropyrimidin-2-yl)amino]imidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-[(4-amino-5-fluoropyrimidin-2-yl)amino]imidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-[(4-amino-5-fluoropyrimidin-2-yl)amino]imidazol-1-yl]ethanol is Nc1nc(Nc2nccn2CCO)ncc1F.
What is the InChIKey of 2-[2-[(4-amino-5-fluoropyrimidin-2-yl)amino]imidazol-1-yl]ethanol?
The InChIKey is VUOFVHASKYKSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN6O/c10-6-5-13-8(14-7(6)11)15-9-12-1-2-16(9)3-4-17/h1-2,5,17H,3-4H2,(H3,11,12,13,14,15).
What are the key properties of 2-[2-[(4-amino-5-fluoropyrimidin-2-yl)amino]imidazol-1-yl]ethanol?
2-[2-[(4-amino-5-fluoropyrimidin-2-yl)amino]imidazol-1-yl]ethanol has a molecular weight of 238.23 g/mol, XLogP of 0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-amino-5-fluoropyrimidin-2-yl)amino]imidazol-1-yl]ethanol is sourced from PubChem (CID 126565156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).