4-ethoxy-6-methyl-2-pyrazol-1-ylpyrimidine

C10H12N4O — CID 10488413

IUPAC4-ethoxy-6-methyl-2-pyrazol-1-ylpyrimidine
SMILESCCOc1cc(C)nc(-n2cccn2)n1
InChIInChI=1S/C10H12N4O/c1-3-15-9-7-8(2)12-10(13-9)14-6-4-5-11-14/h4-7H,3H2,1-2H3
InChIKeyZSXAXULNRYCRRQ-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.37
Rot. Bonds3

About 4-ethoxy-6-methyl-2-pyrazol-1-ylpyrimidine

4-ethoxy-6-methyl-2-pyrazol-1-ylpyrimidine (PubChem CID 10488413) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-ethoxy-6-methyl-2-pyrazol-1-ylpyrimidine.

Molecular Properties

Compound Name4-ethoxy-6-methyl-2-pyrazol-1-ylpyrimidine
PubChem CID10488413
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name4-ethoxy-6-methyl-2-pyrazol-1-ylpyrimidine
SMILESCCOc1cc(C)nc(-n2cccn2)n1
InChIInChI=1S/C10H12N4O/c1-3-15-9-7-8(2)12-10(13-9)14-6-4-5-11-14/h4-7H,3H2,1-2H3
InChIKeyZSXAXULNRYCRRQ-UHFFFAOYSA-N
XLogP1.37
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-methyl-2-pyrazol-1-ylpyrimidine?
The IUPAC name of 4-ethoxy-6-methyl-2-pyrazol-1-ylpyrimidine (CID 10488413) is 4-ethoxy-6-methyl-2-pyrazol-1-ylpyrimidine.
What is the SMILES notation for 4-ethoxy-6-methyl-2-pyrazol-1-ylpyrimidine?
The canonical SMILES for 4-ethoxy-6-methyl-2-pyrazol-1-ylpyrimidine is CCOc1cc(C)nc(-n2cccn2)n1.
What is the InChIKey of 4-ethoxy-6-methyl-2-pyrazol-1-ylpyrimidine?
The InChIKey is ZSXAXULNRYCRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-3-15-9-7-8(2)12-10(13-9)14-6-4-5-11-14/h4-7H,3H2,1-2H3.
What are the key properties of 4-ethoxy-6-methyl-2-pyrazol-1-ylpyrimidine?
4-ethoxy-6-methyl-2-pyrazol-1-ylpyrimidine has a molecular weight of 204.23 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-methyl-2-pyrazol-1-ylpyrimidine is sourced from PubChem (CID 10488413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).