4-[3-(3-fluoropyrazol-1-yl)cyclobutyl]-6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidine

C18H19FN6O — CID 166631453

IUPAC4-[3-(3-fluoropyrazol-1-yl)cyclobutyl]-6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidine
SMILESFc1ccn(C2CC(c3cc(OC4CC(n5cccn5)C4)ncn3)C2)n1
InChIInChI=1S/C18H19FN6O/c19-17-2-5-25(23-17)13-6-12(7-13)16-10-18(21-11-20-16)26-15-8-14(9-15)24-4-1-3-22-24/h1-5,10-15H,6-9H2
InChIKeyJHHVSXOWONNEBM-UHFFFAOYSA-N
MW354.39 g/mol
LogP2.91
Rot. Bonds5

About 4-[3-(3-fluoropyrazol-1-yl)cyclobutyl]-6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidine

4-[3-(3-fluoropyrazol-1-yl)cyclobutyl]-6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidine (PubChem CID 166631453) has the molecular formula C18H19FN6O and a molecular weight of 354.39 g/mol. Its IUPAC name is 4-[3-(3-fluoropyrazol-1-yl)cyclobutyl]-6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidine.

Molecular Properties

Compound Name4-[3-(3-fluoropyrazol-1-yl)cyclobutyl]-6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidine
PubChem CID166631453
Molecular FormulaC18H19FN6O
Molecular Weight354.39 g/mol
Exact Mass354.16
IUPAC Name4-[3-(3-fluoropyrazol-1-yl)cyclobutyl]-6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidine
SMILESFc1ccn(C2CC(c3cc(OC4CC(n5cccn5)C4)ncn3)C2)n1
InChIInChI=1S/C18H19FN6O/c19-17-2-5-25(23-17)13-6-12(7-13)16-10-18(21-11-20-16)26-15-8-14(9-15)24-4-1-3-22-24/h1-5,10-15H,6-9H2
InChIKeyJHHVSXOWONNEBM-UHFFFAOYSA-N
XLogP2.91
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-(4-Fluoropyrazol-1-yl)cyclobutyl]-6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidine
CID 166626973
4-[3-(3-Chloropyrazol-1-yl)cyclobutyl]-6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidine
CID 166627343
4-(3-Pyrazol-1-ylcyclobutyl)-6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidine
CID 166631257
2-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 95764374
Methyl 3-[6-[(4,4-difluorocyclohexyl)methyl]-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]oxypyrrolidine-1-carboxylate
CID 147367237
4-[(4,4-Difluorocyclohexyl)methyl]-2-(3,5-dimethylpyrazol-1-yl)-6-[(1-methyltriazol-4-yl)methoxy]pyrimidine
CID 157387934
4-(3,3-Difluorocyclobutyl)oxy-6-[(4,4-difluorocyclohexyl)methyl]-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidine
CID 157536958
4-[(4,4-Difluorocyclohexyl)methyl]-6-(3-fluorocyclobutyl)oxy-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidine
CID 157838249
Methyl 3-[6-[(4,4-difluorocyclohexyl)methyl]-2-[3-(difluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]oxypyrrolidine-1-carboxylate
CID 159427215
4-[(4,4-Difluorocyclohexyl)methyl]-2-[3-(fluoromethyl)pyrazol-1-yl]-6-(oxetan-3-yloxy)pyrimidine
CID 161232048
4-[(4,4-Difluorocyclohexyl)methyl]-2-[3-(fluoromethyl)-4-methylpyrazol-1-yl]-6-(oxetan-3-yloxy)pyrimidine
CID 162195936
2-[2-(5-Methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 72144353

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-fluoropyrazol-1-yl)cyclobutyl]-6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidine?
The IUPAC name of 4-[3-(3-fluoropyrazol-1-yl)cyclobutyl]-6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidine (CID 166631453) is 4-[3-(3-fluoropyrazol-1-yl)cyclobutyl]-6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidine.
What is the SMILES notation for 4-[3-(3-fluoropyrazol-1-yl)cyclobutyl]-6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidine?
The canonical SMILES for 4-[3-(3-fluoropyrazol-1-yl)cyclobutyl]-6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidine is Fc1ccn(C2CC(c3cc(OC4CC(n5cccn5)C4)ncn3)C2)n1.
What is the InChIKey of 4-[3-(3-fluoropyrazol-1-yl)cyclobutyl]-6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidine?
The InChIKey is JHHVSXOWONNEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O/c19-17-2-5-25(23-17)13-6-12(7-13)16-10-18(21-11-20-16)26-15-8-14(9-15)24-4-1-3-22-24/h1-5,10-15H,6-9H2.
What are the key properties of 4-[3-(3-fluoropyrazol-1-yl)cyclobutyl]-6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidine?
4-[3-(3-fluoropyrazol-1-yl)cyclobutyl]-6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidine has a molecular weight of 354.39 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-fluoropyrazol-1-yl)cyclobutyl]-6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidine is sourced from PubChem (CID 166631453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).