2-[2-[[1-(3-cyclobutyl-4-fluorophenyl)triazol-4-yl]methoxy]pyrimidin-5-yl]propan-2-ol

C20H22FN5O2 — CID 130309519

IUPAC2-[2-[[1-(3-cyclobutyl-4-fluorophenyl)triazol-4-yl]methoxy]pyrimidin-5-yl]propan-2-ol
SMILESCC(C)(O)c1cnc(OCc2cn(-c3ccc(F)c(C4CCC4)c3)nn2)nc1
InChIInChI=1S/C20H22FN5O2/c1-20(2,27)14-9-22-19(23-10-14)28-12-15-11-26(25-24-15)16-6-7-18(21)17(8-16)13-4-3-5-13/h6-11,13,27H,3-5,12H2,1-2H3
InChIKeyQJMNDECZRDOOMP-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.27
Rot. Bonds6

About 2-[2-[[1-(3-cyclobutyl-4-fluorophenyl)triazol-4-yl]methoxy]pyrimidin-5-yl]propan-2-ol

2-[2-[[1-(3-cyclobutyl-4-fluorophenyl)triazol-4-yl]methoxy]pyrimidin-5-yl]propan-2-ol (PubChem CID 130309519) has the molecular formula C20H22FN5O2 and a molecular weight of 383.43 g/mol. Its IUPAC name is 2-[2-[[1-(3-cyclobutyl-4-fluorophenyl)triazol-4-yl]methoxy]pyrimidin-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[[1-(3-cyclobutyl-4-fluorophenyl)triazol-4-yl]methoxy]pyrimidin-5-yl]propan-2-ol
PubChem CID130309519
Molecular FormulaC20H22FN5O2
Molecular Weight383.43 g/mol
Exact Mass383.18
IUPAC Name2-[2-[[1-(3-cyclobutyl-4-fluorophenyl)triazol-4-yl]methoxy]pyrimidin-5-yl]propan-2-ol
SMILESCC(C)(O)c1cnc(OCc2cn(-c3ccc(F)c(C4CCC4)c3)nn2)nc1
InChIInChI=1S/C20H22FN5O2/c1-20(2,27)14-9-22-19(23-10-14)28-12-15-11-26(25-24-15)16-6-7-18(21)17(8-16)13-4-3-5-13/h6-11,13,27H,3-5,12H2,1-2H3
InChIKeyQJMNDECZRDOOMP-UHFFFAOYSA-N
XLogP3.27
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[1-(3-cyclobutyl-4-fluorophenyl)triazol-4-yl]methoxy]pyrimidin-5-yl]propan-2-ol?
The IUPAC name of 2-[2-[[1-(3-cyclobutyl-4-fluorophenyl)triazol-4-yl]methoxy]pyrimidin-5-yl]propan-2-ol (CID 130309519) is 2-[2-[[1-(3-cyclobutyl-4-fluorophenyl)triazol-4-yl]methoxy]pyrimidin-5-yl]propan-2-ol.
What is the SMILES notation for 2-[2-[[1-(3-cyclobutyl-4-fluorophenyl)triazol-4-yl]methoxy]pyrimidin-5-yl]propan-2-ol?
The canonical SMILES for 2-[2-[[1-(3-cyclobutyl-4-fluorophenyl)triazol-4-yl]methoxy]pyrimidin-5-yl]propan-2-ol is CC(C)(O)c1cnc(OCc2cn(-c3ccc(F)c(C4CCC4)c3)nn2)nc1.
What is the InChIKey of 2-[2-[[1-(3-cyclobutyl-4-fluorophenyl)triazol-4-yl]methoxy]pyrimidin-5-yl]propan-2-ol?
The InChIKey is QJMNDECZRDOOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O2/c1-20(2,27)14-9-22-19(23-10-14)28-12-15-11-26(25-24-15)16-6-7-18(21)17(8-16)13-4-3-5-13/h6-11,13,27H,3-5,12H2,1-2H3.
What are the key properties of 2-[2-[[1-(3-cyclobutyl-4-fluorophenyl)triazol-4-yl]methoxy]pyrimidin-5-yl]propan-2-ol?
2-[2-[[1-(3-cyclobutyl-4-fluorophenyl)triazol-4-yl]methoxy]pyrimidin-5-yl]propan-2-ol has a molecular weight of 383.43 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[1-(3-cyclobutyl-4-fluorophenyl)triazol-4-yl]methoxy]pyrimidin-5-yl]propan-2-ol is sourced from PubChem (CID 130309519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).