2-[4-[(5-methylpyrimidin-2-yl)amino]pyrazol-1-yl]ethanol

C10H13N5O — CID 141287434

IUPAC2-[4-[(5-methylpyrimidin-2-yl)amino]pyrazol-1-yl]ethanol
SMILESCc1cnc(Nc2cnn(CCO)c2)nc1
InChIInChI=1S/C10H13N5O/c1-8-4-11-10(12-5-8)14-9-6-13-15(7-9)2-3-16/h4-7,16H,2-3H2,1H3,(H,11,12,14)
InChIKeyNKDDOCRZILMGEG-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.72
Rot. Bonds4

About 2-[4-[(5-methylpyrimidin-2-yl)amino]pyrazol-1-yl]ethanol

2-[4-[(5-methylpyrimidin-2-yl)amino]pyrazol-1-yl]ethanol (PubChem CID 141287434) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 2-[4-[(5-methylpyrimidin-2-yl)amino]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(5-methylpyrimidin-2-yl)amino]pyrazol-1-yl]ethanol
PubChem CID141287434
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name2-[4-[(5-methylpyrimidin-2-yl)amino]pyrazol-1-yl]ethanol
SMILESCc1cnc(Nc2cnn(CCO)c2)nc1
InChIInChI=1S/C10H13N5O/c1-8-4-11-10(12-5-8)14-9-6-13-15(7-9)2-3-16/h4-7,16H,2-3H2,1H3,(H,11,12,14)
InChIKeyNKDDOCRZILMGEG-UHFFFAOYSA-N
XLogP0.72
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-methylpyrimidin-2-yl)amino]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(5-methylpyrimidin-2-yl)amino]pyrazol-1-yl]ethanol (CID 141287434) is 2-[4-[(5-methylpyrimidin-2-yl)amino]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(5-methylpyrimidin-2-yl)amino]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(5-methylpyrimidin-2-yl)amino]pyrazol-1-yl]ethanol is Cc1cnc(Nc2cnn(CCO)c2)nc1.
What is the InChIKey of 2-[4-[(5-methylpyrimidin-2-yl)amino]pyrazol-1-yl]ethanol?
The InChIKey is NKDDOCRZILMGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-8-4-11-10(12-5-8)14-9-6-13-15(7-9)2-3-16/h4-7,16H,2-3H2,1H3,(H,11,12,14).
What are the key properties of 2-[4-[(5-methylpyrimidin-2-yl)amino]pyrazol-1-yl]ethanol?
2-[4-[(5-methylpyrimidin-2-yl)amino]pyrazol-1-yl]ethanol has a molecular weight of 219.25 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-methylpyrimidin-2-yl)amino]pyrazol-1-yl]ethanol is sourced from PubChem (CID 141287434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).