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

C10H13N5O2 — CID 47390198

IUPAC2-[4-[(4-methoxypyrimidin-2-yl)amino]pyrazol-1-yl]ethanol
SMILESCOc1ccnc(Nc2cnn(CCO)c2)n1
InChIInChI=1S/C10H13N5O2/c1-17-9-2-3-11-10(14-9)13-8-6-12-15(7-8)4-5-16/h2-3,6-7,16H,4-5H2,1H3,(H,11,13,14)
InChIKeyGPQSRHBUAJAQIF-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.42
Rot. Bonds5

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

2-[4-[(4-methoxypyrimidin-2-yl)amino]pyrazol-1-yl]ethanol (PubChem CID 47390198) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-[4-[(4-methoxypyrimidin-2-yl)amino]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(4-methoxypyrimidin-2-yl)amino]pyrazol-1-yl]ethanol
PubChem CID47390198
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name2-[4-[(4-methoxypyrimidin-2-yl)amino]pyrazol-1-yl]ethanol
SMILESCOc1ccnc(Nc2cnn(CCO)c2)n1
InChIInChI=1S/C10H13N5O2/c1-17-9-2-3-11-10(14-9)13-8-6-12-15(7-8)4-5-16/h2-3,6-7,16H,4-5H2,1H3,(H,11,13,14)
InChIKeyGPQSRHBUAJAQIF-UHFFFAOYSA-N
XLogP0.42
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methoxypyrimidin-2-yl)amino]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(4-methoxypyrimidin-2-yl)amino]pyrazol-1-yl]ethanol (CID 47390198) is 2-[4-[(4-methoxypyrimidin-2-yl)amino]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(4-methoxypyrimidin-2-yl)amino]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(4-methoxypyrimidin-2-yl)amino]pyrazol-1-yl]ethanol is COc1ccnc(Nc2cnn(CCO)c2)n1.
What is the InChIKey of 2-[4-[(4-methoxypyrimidin-2-yl)amino]pyrazol-1-yl]ethanol?
The InChIKey is GPQSRHBUAJAQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-17-9-2-3-11-10(14-9)13-8-6-12-15(7-8)4-5-16/h2-3,6-7,16H,4-5H2,1H3,(H,11,13,14).
What are the key properties of 2-[4-[(4-methoxypyrimidin-2-yl)amino]pyrazol-1-yl]ethanol?
2-[4-[(4-methoxypyrimidin-2-yl)amino]pyrazol-1-yl]ethanol has a molecular weight of 235.25 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methoxypyrimidin-2-yl)amino]pyrazol-1-yl]ethanol is sourced from PubChem (CID 47390198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).