4-[5-[5-cyclopropyl-2-(4-fluorophenyl)-1,2,4-triazol-3-yl]pyrimidin-2-yl]morpholine

C19H19FN6O — CID 72936138

IUPAC4-[5-[5-cyclopropyl-2-(4-fluorophenyl)-1,2,4-triazol-3-yl]pyrimidin-2-yl]morpholine
SMILESFc1ccc(-n2nc(C3CC3)nc2-c2cnc(N3CCOCC3)nc2)cc1
InChIInChI=1S/C19H19FN6O/c20-15-3-5-16(6-4-15)26-18(23-17(24-26)13-1-2-13)14-11-21-19(22-12-14)25-7-9-27-10-8-25/h3-6,11-13H,1-2,7-10H2
InChIKeyVRVLPJUFMRENKU-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.58
Rot. Bonds4

About 4-[5-[5-cyclopropyl-2-(4-fluorophenyl)-1,2,4-triazol-3-yl]pyrimidin-2-yl]morpholine

4-[5-[5-cyclopropyl-2-(4-fluorophenyl)-1,2,4-triazol-3-yl]pyrimidin-2-yl]morpholine (PubChem CID 72936138) has the molecular formula C19H19FN6O and a molecular weight of 366.40 g/mol. Its IUPAC name is 4-[5-[5-cyclopropyl-2-(4-fluorophenyl)-1,2,4-triazol-3-yl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-[5-cyclopropyl-2-(4-fluorophenyl)-1,2,4-triazol-3-yl]pyrimidin-2-yl]morpholine
PubChem CID72936138
Molecular FormulaC19H19FN6O
Molecular Weight366.40 g/mol
Exact Mass366.16
IUPAC Name4-[5-[5-cyclopropyl-2-(4-fluorophenyl)-1,2,4-triazol-3-yl]pyrimidin-2-yl]morpholine
SMILESFc1ccc(-n2nc(C3CC3)nc2-c2cnc(N3CCOCC3)nc2)cc1
InChIInChI=1S/C19H19FN6O/c20-15-3-5-16(6-4-15)26-18(23-17(24-26)13-1-2-13)14-11-21-19(22-12-14)25-7-9-27-10-8-25/h3-6,11-13H,1-2,7-10H2
InChIKeyVRVLPJUFMRENKU-UHFFFAOYSA-N
XLogP2.58
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[5-cyclopropyl-2-(4-fluorophenyl)-1,2,4-triazol-3-yl]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[5-[5-cyclopropyl-2-(4-fluorophenyl)-1,2,4-triazol-3-yl]pyrimidin-2-yl]morpholine (CID 72936138) is 4-[5-[5-cyclopropyl-2-(4-fluorophenyl)-1,2,4-triazol-3-yl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[5-[5-cyclopropyl-2-(4-fluorophenyl)-1,2,4-triazol-3-yl]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[5-[5-cyclopropyl-2-(4-fluorophenyl)-1,2,4-triazol-3-yl]pyrimidin-2-yl]morpholine is Fc1ccc(-n2nc(C3CC3)nc2-c2cnc(N3CCOCC3)nc2)cc1.
What is the InChIKey of 4-[5-[5-cyclopropyl-2-(4-fluorophenyl)-1,2,4-triazol-3-yl]pyrimidin-2-yl]morpholine?
The InChIKey is VRVLPJUFMRENKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O/c20-15-3-5-16(6-4-15)26-18(23-17(24-26)13-1-2-13)14-11-21-19(22-12-14)25-7-9-27-10-8-25/h3-6,11-13H,1-2,7-10H2.
What are the key properties of 4-[5-[5-cyclopropyl-2-(4-fluorophenyl)-1,2,4-triazol-3-yl]pyrimidin-2-yl]morpholine?
4-[5-[5-cyclopropyl-2-(4-fluorophenyl)-1,2,4-triazol-3-yl]pyrimidin-2-yl]morpholine has a molecular weight of 366.40 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[5-cyclopropyl-2-(4-fluorophenyl)-1,2,4-triazol-3-yl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 72936138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).