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

C10H12FN5O — CID 39818400

IUPAC2-[[5-fluoro-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]ethanol
SMILESCn1cc(-c2ncc(F)c(NCCO)n2)cn1
InChIInChI=1S/C10H12FN5O/c1-16-6-7(4-14-16)9-13-5-8(11)10(15-9)12-2-3-17/h4-6,17H,2-3H2,1H3,(H,12,13,15)
InChIKeyAZEMCUAGZSNUNC-UHFFFAOYSA-N
MW237.24 g/mol
LogP0.42
Rot. Bonds4

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

2-[[5-fluoro-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]ethanol (PubChem CID 39818400) has the molecular formula C10H12FN5O and a molecular weight of 237.24 g/mol. Its IUPAC name is 2-[[5-fluoro-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[5-fluoro-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]ethanol
PubChem CID39818400
Molecular FormulaC10H12FN5O
Molecular Weight237.24 g/mol
Exact Mass237.10
IUPAC Name2-[[5-fluoro-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]ethanol
SMILESCn1cc(-c2ncc(F)c(NCCO)n2)cn1
InChIInChI=1S/C10H12FN5O/c1-16-6-7(4-14-16)9-13-5-8(11)10(15-9)12-2-3-17/h4-6,17H,2-3H2,1H3,(H,12,13,15)
InChIKeyAZEMCUAGZSNUNC-UHFFFAOYSA-N
XLogP0.42
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.24
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-fluoro-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[5-fluoro-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]ethanol (CID 39818400) is 2-[[5-fluoro-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[5-fluoro-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[5-fluoro-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]ethanol is Cn1cc(-c2ncc(F)c(NCCO)n2)cn1.
What is the InChIKey of 2-[[5-fluoro-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]ethanol?
The InChIKey is AZEMCUAGZSNUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5O/c1-16-6-7(4-14-16)9-13-5-8(11)10(15-9)12-2-3-17/h4-6,17H,2-3H2,1H3,(H,12,13,15).
What are the key properties of 2-[[5-fluoro-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]ethanol?
2-[[5-fluoro-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]ethanol has a molecular weight of 237.24 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-fluoro-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 39818400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).