4-methoxy-6-pyrazol-1-yl-2-pyridin-2-ylpyrimidine

C13H11N5O — CID 169409406

IUPAC4-methoxy-6-pyrazol-1-yl-2-pyridin-2-ylpyrimidine
SMILESCOc1cc(-n2cccn2)nc(-c2ccccn2)n1
InChIInChI=1S/C13H11N5O/c1-19-12-9-11(18-8-4-7-15-18)16-13(17-12)10-5-2-3-6-14-10/h2-9H,1H3
InChIKeyHDCDSKHRYXNJMD-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.73
Rot. Bonds3

About 4-methoxy-6-pyrazol-1-yl-2-pyridin-2-ylpyrimidine

4-methoxy-6-pyrazol-1-yl-2-pyridin-2-ylpyrimidine (PubChem CID 169409406) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is 4-methoxy-6-pyrazol-1-yl-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4-methoxy-6-pyrazol-1-yl-2-pyridin-2-ylpyrimidine
PubChem CID169409406
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC Name4-methoxy-6-pyrazol-1-yl-2-pyridin-2-ylpyrimidine
SMILESCOc1cc(-n2cccn2)nc(-c2ccccn2)n1
InChIInChI=1S/C13H11N5O/c1-19-12-9-11(18-8-4-7-15-18)16-13(17-12)10-5-2-3-6-14-10/h2-9H,1H3
InChIKeyHDCDSKHRYXNJMD-UHFFFAOYSA-N
XLogP1.73
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-pyrazol-1-yl-2-pyridin-2-ylpyrimidine?
The IUPAC name of 4-methoxy-6-pyrazol-1-yl-2-pyridin-2-ylpyrimidine (CID 169409406) is 4-methoxy-6-pyrazol-1-yl-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4-methoxy-6-pyrazol-1-yl-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4-methoxy-6-pyrazol-1-yl-2-pyridin-2-ylpyrimidine is COc1cc(-n2cccn2)nc(-c2ccccn2)n1.
What is the InChIKey of 4-methoxy-6-pyrazol-1-yl-2-pyridin-2-ylpyrimidine?
The InChIKey is HDCDSKHRYXNJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c1-19-12-9-11(18-8-4-7-15-18)16-13(17-12)10-5-2-3-6-14-10/h2-9H,1H3.
What are the key properties of 4-methoxy-6-pyrazol-1-yl-2-pyridin-2-ylpyrimidine?
4-methoxy-6-pyrazol-1-yl-2-pyridin-2-ylpyrimidine has a molecular weight of 253.27 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-pyrazol-1-yl-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 169409406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).