4-ethoxy-6-pyrazol-1-ylpyrimidine

C9H10N4O — CID 10702836

IUPAC4-ethoxy-6-pyrazol-1-ylpyrimidine
SMILESCCOc1cc(-n2cccn2)ncn1
InChIInChI=1S/C9H10N4O/c1-2-14-9-6-8(10-7-11-9)13-5-3-4-12-13/h3-7H,2H2,1H3
InChIKeyMADOBTFJJGTQQG-UHFFFAOYSA-N
MW190.21 g/mol
LogP1.06
Rot. Bonds3

About 4-ethoxy-6-pyrazol-1-ylpyrimidine

4-ethoxy-6-pyrazol-1-ylpyrimidine (PubChem CID 10702836) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 4-ethoxy-6-pyrazol-1-ylpyrimidine.

Molecular Properties

Compound Name4-ethoxy-6-pyrazol-1-ylpyrimidine
PubChem CID10702836
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name4-ethoxy-6-pyrazol-1-ylpyrimidine
SMILESCCOc1cc(-n2cccn2)ncn1
InChIInChI=1S/C9H10N4O/c1-2-14-9-6-8(10-7-11-9)13-5-3-4-12-13/h3-7H,2H2,1H3
InChIKeyMADOBTFJJGTQQG-UHFFFAOYSA-N
XLogP1.06
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-pyrazol-1-ylpyrimidine?
The IUPAC name of 4-ethoxy-6-pyrazol-1-ylpyrimidine (CID 10702836) is 4-ethoxy-6-pyrazol-1-ylpyrimidine.
What is the SMILES notation for 4-ethoxy-6-pyrazol-1-ylpyrimidine?
The canonical SMILES for 4-ethoxy-6-pyrazol-1-ylpyrimidine is CCOc1cc(-n2cccn2)ncn1.
What is the InChIKey of 4-ethoxy-6-pyrazol-1-ylpyrimidine?
The InChIKey is MADOBTFJJGTQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-2-14-9-6-8(10-7-11-9)13-5-3-4-12-13/h3-7H,2H2,1H3.
What are the key properties of 4-ethoxy-6-pyrazol-1-ylpyrimidine?
4-ethoxy-6-pyrazol-1-ylpyrimidine has a molecular weight of 190.21 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-pyrazol-1-ylpyrimidine is sourced from PubChem (CID 10702836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).