6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidine-4-carbonitrile

C10H9N5O — CID 107546005

IUPAC6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(Oc2cc(C)[nH]n2)n1
InChIInChI=1S/C10H9N5O/c1-6-3-8(5-11)13-10(12-6)16-9-4-7(2)14-15-9/h3-4H,1-2H3,(H,14,15)
InChIKeyASQPCOOQLQTJKF-UHFFFAOYSA-N
MW215.22 g/mol
LogP1.48
Rot. Bonds2

About 6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidine-4-carbonitrile

6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidine-4-carbonitrile (PubChem CID 107546005) has the molecular formula C10H9N5O and a molecular weight of 215.22 g/mol. Its IUPAC name is 6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidine-4-carbonitrile
PubChem CID107546005
Molecular FormulaC10H9N5O
Molecular Weight215.22 g/mol
Exact Mass215.08
IUPAC Name6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(Oc2cc(C)[nH]n2)n1
InChIInChI=1S/C10H9N5O/c1-6-3-8(5-11)13-10(12-6)16-9-4-7(2)14-15-9/h3-4H,1-2H3,(H,14,15)
InChIKeyASQPCOOQLQTJKF-UHFFFAOYSA-N
XLogP1.48
TPSA87.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidine-4-carbonitrile?
The IUPAC name of 6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidine-4-carbonitrile (CID 107546005) is 6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidine-4-carbonitrile?
The canonical SMILES for 6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidine-4-carbonitrile is Cc1cc(C#N)nc(Oc2cc(C)[nH]n2)n1.
What is the InChIKey of 6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidine-4-carbonitrile?
The InChIKey is ASQPCOOQLQTJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O/c1-6-3-8(5-11)13-10(12-6)16-9-4-7(2)14-15-9/h3-4H,1-2H3,(H,14,15).
What are the key properties of 6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidine-4-carbonitrile?
6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidine-4-carbonitrile has a molecular weight of 215.22 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidine-4-carbonitrile is sourced from PubChem (CID 107546005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).