4-(3-pyrazol-1-ylcyclobutyl)-6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidine

C18H20N6O — CID 166631257

IUPAC4-(3-pyrazol-1-ylcyclobutyl)-6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidine
SMILESc1cnn(C2CC(Oc3cc(C4CC(n5cccn5)C4)ncn3)C2)c1
InChIInChI=1S/C18H20N6O/c1-3-21-23(5-1)14-7-13(8-14)17-11-18(20-12-19-17)25-16-9-15(10-16)24-6-2-4-22-24/h1-6,11-16H,7-10H2
InChIKeyJJCBRKGWRLYBKK-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.77
Rot. Bonds5

About 4-(3-pyrazol-1-ylcyclobutyl)-6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidine

4-(3-pyrazol-1-ylcyclobutyl)-6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidine (PubChem CID 166631257) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-(3-pyrazol-1-ylcyclobutyl)-6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidine.

Molecular Properties

Compound Name4-(3-pyrazol-1-ylcyclobutyl)-6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidine
PubChem CID166631257
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name4-(3-pyrazol-1-ylcyclobutyl)-6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidine
SMILESc1cnn(C2CC(Oc3cc(C4CC(n5cccn5)C4)ncn3)C2)c1
InChIInChI=1S/C18H20N6O/c1-3-21-23(5-1)14-7-13(8-14)17-11-18(20-12-19-17)25-16-9-15(10-16)24-6-2-4-22-24/h1-6,11-16H,7-10H2
InChIKeyJJCBRKGWRLYBKK-UHFFFAOYSA-N
XLogP2.77
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.77
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-Fluoropyrazol-1-yl)cyclobutyl]-6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidine
CID 166631453
4-[3-(3-Chloropyrazol-1-yl)cyclobutyl]-6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidine
CID 166627343
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-(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
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
2-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 95764375
4-[2-Tert-butyl-4-[4-[3-(2,5-dimethylpyrazol-3-yl)oxypropyl]piperazin-1-yl]cyclobutyl]pyrimidine
CID 69026616

Frequently Asked Questions

What is the IUPAC name of 4-(3-pyrazol-1-ylcyclobutyl)-6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidine?
The IUPAC name of 4-(3-pyrazol-1-ylcyclobutyl)-6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidine (CID 166631257) is 4-(3-pyrazol-1-ylcyclobutyl)-6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidine.
What is the SMILES notation for 4-(3-pyrazol-1-ylcyclobutyl)-6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidine?
The canonical SMILES for 4-(3-pyrazol-1-ylcyclobutyl)-6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidine is c1cnn(C2CC(Oc3cc(C4CC(n5cccn5)C4)ncn3)C2)c1.
What is the InChIKey of 4-(3-pyrazol-1-ylcyclobutyl)-6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidine?
The InChIKey is JJCBRKGWRLYBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-3-21-23(5-1)14-7-13(8-14)17-11-18(20-12-19-17)25-16-9-15(10-16)24-6-2-4-22-24/h1-6,11-16H,7-10H2.
What are the key properties of 4-(3-pyrazol-1-ylcyclobutyl)-6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidine?
4-(3-pyrazol-1-ylcyclobutyl)-6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidine has a molecular weight of 336.40 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyrazol-1-ylcyclobutyl)-6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidine is sourced from PubChem (CID 166631257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).