2-propan-2-yl-4-(4-pyrazol-1-ylphenoxy)pyrimidine

C16H16N4O — CID 154748939

IUPAC2-propan-2-yl-4-(4-pyrazol-1-ylphenoxy)pyrimidine
SMILESCC(C)c1nccc(Oc2ccc(-n3cccn3)cc2)n1
InChIInChI=1S/C16H16N4O/c1-12(2)16-17-10-8-15(19-16)21-14-6-4-13(5-7-14)20-11-3-9-18-20/h3-12H,1-2H3
InChIKeyXCMORWXUYNHVPB-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.58
Rot. Bonds4

About 2-propan-2-yl-4-(4-pyrazol-1-ylphenoxy)pyrimidine

2-propan-2-yl-4-(4-pyrazol-1-ylphenoxy)pyrimidine (PubChem CID 154748939) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-propan-2-yl-4-(4-pyrazol-1-ylphenoxy)pyrimidine.

Molecular Properties

Compound Name2-propan-2-yl-4-(4-pyrazol-1-ylphenoxy)pyrimidine
PubChem CID154748939
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-propan-2-yl-4-(4-pyrazol-1-ylphenoxy)pyrimidine
SMILESCC(C)c1nccc(Oc2ccc(-n3cccn3)cc2)n1
InChIInChI=1S/C16H16N4O/c1-12(2)16-17-10-8-15(19-16)21-14-6-4-13(5-7-14)20-11-3-9-18-20/h3-12H,1-2H3
InChIKeyXCMORWXUYNHVPB-UHFFFAOYSA-N
XLogP3.58
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-(4-pyrazol-1-ylphenoxy)pyrimidine?
The IUPAC name of 2-propan-2-yl-4-(4-pyrazol-1-ylphenoxy)pyrimidine (CID 154748939) is 2-propan-2-yl-4-(4-pyrazol-1-ylphenoxy)pyrimidine.
What is the SMILES notation for 2-propan-2-yl-4-(4-pyrazol-1-ylphenoxy)pyrimidine?
The canonical SMILES for 2-propan-2-yl-4-(4-pyrazol-1-ylphenoxy)pyrimidine is CC(C)c1nccc(Oc2ccc(-n3cccn3)cc2)n1.
What is the InChIKey of 2-propan-2-yl-4-(4-pyrazol-1-ylphenoxy)pyrimidine?
The InChIKey is XCMORWXUYNHVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-12(2)16-17-10-8-15(19-16)21-14-6-4-13(5-7-14)20-11-3-9-18-20/h3-12H,1-2H3.
What are the key properties of 2-propan-2-yl-4-(4-pyrazol-1-ylphenoxy)pyrimidine?
2-propan-2-yl-4-(4-pyrazol-1-ylphenoxy)pyrimidine has a molecular weight of 280.33 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-(4-pyrazol-1-ylphenoxy)pyrimidine is sourced from PubChem (CID 154748939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).