5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-4-amine

C17H12F2N6O — CID 68643388

IUPAC5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-4-amine
SMILESNc1nc(-c2cc(-c3ncco3)n(Cc3ccccc3F)n2)ncc1F
InChIInChI=1S/C17H12F2N6O/c18-11-4-2-1-3-10(11)9-25-14(17-21-5-6-26-17)7-13(24-25)16-22-8-12(19)15(20)23-16/h1-8H,9H2,(H2,20,22,23)
InChIKeyRGQIAPAQQBWAOF-UHFFFAOYSA-N
MW354.32 g/mol
LogP2.90
Rot. Bonds4

About 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-4-amine

5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-4-amine (PubChem CID 68643388) has the molecular formula C17H12F2N6O and a molecular weight of 354.32 g/mol. Its IUPAC name is 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-4-amine
PubChem CID68643388
Molecular FormulaC17H12F2N6O
Molecular Weight354.32 g/mol
Exact Mass354.10
IUPAC Name5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-4-amine
SMILESNc1nc(-c2cc(-c3ncco3)n(Cc3ccccc3F)n2)ncc1F
InChIInChI=1S/C17H12F2N6O/c18-11-4-2-1-3-10(11)9-25-14(17-21-5-6-26-17)7-13(24-25)16-22-8-12(19)15(20)23-16/h1-8H,9H2,(H2,20,22,23)
InChIKeyRGQIAPAQQBWAOF-UHFFFAOYSA-N
XLogP2.90
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-4-amine (CID 68643388) is 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-4-amine is Nc1nc(-c2cc(-c3ncco3)n(Cc3ccccc3F)n2)ncc1F.
What is the InChIKey of 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-4-amine?
The InChIKey is RGQIAPAQQBWAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N6O/c18-11-4-2-1-3-10(11)9-25-14(17-21-5-6-26-17)7-13(24-25)16-22-8-12(19)15(20)23-16/h1-8H,9H2,(H2,20,22,23).
What are the key properties of 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-4-amine?
5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-4-amine has a molecular weight of 354.32 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 68643388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).