3-[6-[[1-(3-fluorophenyl)pyrazol-4-yl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol

C18H18FN5O — CID 91790891

IUPAC3-[6-[[1-(3-fluorophenyl)pyrazol-4-yl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESOC1CC(c2cc(NCc3cnn(-c4cccc(F)c4)c3)ncn2)C1
InChIInChI=1S/C18H18FN5O/c19-14-2-1-3-15(6-14)24-10-12(9-23-24)8-20-18-7-17(21-11-22-18)13-4-16(25)5-13/h1-3,6-7,9-11,13,16,25H,4-5,8H2,(H,20,21,22)
InChIKeyQOEYFDHRWPJDIO-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.65
Rot. Bonds5

About 3-[6-[[1-(3-fluorophenyl)pyrazol-4-yl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol

3-[6-[[1-(3-fluorophenyl)pyrazol-4-yl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91790891) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is 3-[6-[[1-(3-fluorophenyl)pyrazol-4-yl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[6-[[1-(3-fluorophenyl)pyrazol-4-yl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91790891
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC Name3-[6-[[1-(3-fluorophenyl)pyrazol-4-yl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESOC1CC(c2cc(NCc3cnn(-c4cccc(F)c4)c3)ncn2)C1
InChIInChI=1S/C18H18FN5O/c19-14-2-1-3-15(6-14)24-10-12(9-23-24)8-20-18-7-17(21-11-22-18)13-4-16(25)5-13/h1-3,6-7,9-11,13,16,25H,4-5,8H2,(H,20,21,22)
InChIKeyQOEYFDHRWPJDIO-UHFFFAOYSA-N
XLogP2.65
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[[1-(3-fluorophenyl)pyrazol-4-yl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[6-[[1-(3-fluorophenyl)pyrazol-4-yl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91790891) is 3-[6-[[1-(3-fluorophenyl)pyrazol-4-yl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[6-[[1-(3-fluorophenyl)pyrazol-4-yl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[6-[[1-(3-fluorophenyl)pyrazol-4-yl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol is OC1CC(c2cc(NCc3cnn(-c4cccc(F)c4)c3)ncn2)C1.
What is the InChIKey of 3-[6-[[1-(3-fluorophenyl)pyrazol-4-yl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is QOEYFDHRWPJDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c19-14-2-1-3-15(6-14)24-10-12(9-23-24)8-20-18-7-17(21-11-22-18)13-4-16(25)5-13/h1-3,6-7,9-11,13,16,25H,4-5,8H2,(H,20,21,22).
What are the key properties of 3-[6-[[1-(3-fluorophenyl)pyrazol-4-yl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
3-[6-[[1-(3-fluorophenyl)pyrazol-4-yl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 339.37 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[1-(3-fluorophenyl)pyrazol-4-yl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91790891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).