2-methyl-4-(4-pyrazol-1-ylphenoxy)-6-pyridin-3-ylpyrimidine

C19H15N5O — CID 138038750

IUPAC2-methyl-4-(4-pyrazol-1-ylphenoxy)-6-pyridin-3-ylpyrimidine
SMILESCc1nc(Oc2ccc(-n3cccn3)cc2)cc(-c2cccnc2)n1
InChIInChI=1S/C19H15N5O/c1-14-22-18(15-4-2-9-20-13-15)12-19(23-14)25-17-7-5-16(6-8-17)24-11-3-10-21-24/h2-13H,1H3
InChIKeyGWYKAPDISFMKAK-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.83
Rot. Bonds4

About 2-methyl-4-(4-pyrazol-1-ylphenoxy)-6-pyridin-3-ylpyrimidine

2-methyl-4-(4-pyrazol-1-ylphenoxy)-6-pyridin-3-ylpyrimidine (PubChem CID 138038750) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-methyl-4-(4-pyrazol-1-ylphenoxy)-6-pyridin-3-ylpyrimidine.

Molecular Properties

Compound Name2-methyl-4-(4-pyrazol-1-ylphenoxy)-6-pyridin-3-ylpyrimidine
PubChem CID138038750
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC Name2-methyl-4-(4-pyrazol-1-ylphenoxy)-6-pyridin-3-ylpyrimidine
SMILESCc1nc(Oc2ccc(-n3cccn3)cc2)cc(-c2cccnc2)n1
InChIInChI=1S/C19H15N5O/c1-14-22-18(15-4-2-9-20-13-15)12-19(23-14)25-17-7-5-16(6-8-17)24-11-3-10-21-24/h2-13H,1H3
InChIKeyGWYKAPDISFMKAK-UHFFFAOYSA-N
XLogP3.83
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-pyrazol-1-ylphenoxy)-6-pyridin-3-ylpyrimidine?
The IUPAC name of 2-methyl-4-(4-pyrazol-1-ylphenoxy)-6-pyridin-3-ylpyrimidine (CID 138038750) is 2-methyl-4-(4-pyrazol-1-ylphenoxy)-6-pyridin-3-ylpyrimidine.
What is the SMILES notation for 2-methyl-4-(4-pyrazol-1-ylphenoxy)-6-pyridin-3-ylpyrimidine?
The canonical SMILES for 2-methyl-4-(4-pyrazol-1-ylphenoxy)-6-pyridin-3-ylpyrimidine is Cc1nc(Oc2ccc(-n3cccn3)cc2)cc(-c2cccnc2)n1.
What is the InChIKey of 2-methyl-4-(4-pyrazol-1-ylphenoxy)-6-pyridin-3-ylpyrimidine?
The InChIKey is GWYKAPDISFMKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c1-14-22-18(15-4-2-9-20-13-15)12-19(23-14)25-17-7-5-16(6-8-17)24-11-3-10-21-24/h2-13H,1H3.
What are the key properties of 2-methyl-4-(4-pyrazol-1-ylphenoxy)-6-pyridin-3-ylpyrimidine?
2-methyl-4-(4-pyrazol-1-ylphenoxy)-6-pyridin-3-ylpyrimidine has a molecular weight of 329.36 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-pyrazol-1-ylphenoxy)-6-pyridin-3-ylpyrimidine is sourced from PubChem (CID 138038750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).