2-[2-[[5-fluoro-4-(methylamino)pyrimidin-2-yl]amino]imidazol-1-yl]ethanol

C10H13FN6O — CID 126565160

IUPAC2-[2-[[5-fluoro-4-(methylamino)pyrimidin-2-yl]amino]imidazol-1-yl]ethanol
SMILESCNc1nc(Nc2nccn2CCO)ncc1F
InChIInChI=1S/C10H13FN6O/c1-12-8-7(11)6-14-9(15-8)16-10-13-2-3-17(10)4-5-18/h2-3,6,18H,4-5H2,1H3,(H2,12,13,14,15,16)
InChIKeyGNAPMEOSHQMRFJ-UHFFFAOYSA-N
MW252.25 g/mol
LogP0.59
Rot. Bonds5

About 2-[2-[[5-fluoro-4-(methylamino)pyrimidin-2-yl]amino]imidazol-1-yl]ethanol

2-[2-[[5-fluoro-4-(methylamino)pyrimidin-2-yl]amino]imidazol-1-yl]ethanol (PubChem CID 126565160) has the molecular formula C10H13FN6O and a molecular weight of 252.25 g/mol. Its IUPAC name is 2-[2-[[5-fluoro-4-(methylamino)pyrimidin-2-yl]amino]imidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-[[5-fluoro-4-(methylamino)pyrimidin-2-yl]amino]imidazol-1-yl]ethanol
PubChem CID126565160
Molecular FormulaC10H13FN6O
Molecular Weight252.25 g/mol
Exact Mass252.11
IUPAC Name2-[2-[[5-fluoro-4-(methylamino)pyrimidin-2-yl]amino]imidazol-1-yl]ethanol
SMILESCNc1nc(Nc2nccn2CCO)ncc1F
InChIInChI=1S/C10H13FN6O/c1-12-8-7(11)6-14-9(15-8)16-10-13-2-3-17(10)4-5-18/h2-3,6,18H,4-5H2,1H3,(H2,12,13,14,15,16)
InChIKeyGNAPMEOSHQMRFJ-UHFFFAOYSA-N
XLogP0.59
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[5-fluoro-4-(methylamino)pyrimidin-2-yl]amino]imidazol-1-yl]ethanol?
The IUPAC name of 2-[2-[[5-fluoro-4-(methylamino)pyrimidin-2-yl]amino]imidazol-1-yl]ethanol (CID 126565160) is 2-[2-[[5-fluoro-4-(methylamino)pyrimidin-2-yl]amino]imidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-[[5-fluoro-4-(methylamino)pyrimidin-2-yl]amino]imidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-[[5-fluoro-4-(methylamino)pyrimidin-2-yl]amino]imidazol-1-yl]ethanol is CNc1nc(Nc2nccn2CCO)ncc1F.
What is the InChIKey of 2-[2-[[5-fluoro-4-(methylamino)pyrimidin-2-yl]amino]imidazol-1-yl]ethanol?
The InChIKey is GNAPMEOSHQMRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN6O/c1-12-8-7(11)6-14-9(15-8)16-10-13-2-3-17(10)4-5-18/h2-3,6,18H,4-5H2,1H3,(H2,12,13,14,15,16).
What are the key properties of 2-[2-[[5-fluoro-4-(methylamino)pyrimidin-2-yl]amino]imidazol-1-yl]ethanol?
2-[2-[[5-fluoro-4-(methylamino)pyrimidin-2-yl]amino]imidazol-1-yl]ethanol has a molecular weight of 252.25 g/mol, XLogP of 0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[5-fluoro-4-(methylamino)pyrimidin-2-yl]amino]imidazol-1-yl]ethanol is sourced from PubChem (CID 126565160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).