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

C21H20FN7O2 — CID 90445779

IUPAC2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-4-morpholin-4-ylpyrimidin-5-amine
SMILESNc1cnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)nc1N1CCOCC1
InChIInChI=1S/C21H20FN7O2/c22-15-4-2-1-3-14(15)13-29-19(17-5-8-31-27-17)11-18(26-29)20-24-12-16(23)21(25-20)28-6-9-30-10-7-28/h1-5,8,11-12H,6-7,9-10,13,23H2
InChIKeyLXVXDWZMXKRHSY-UHFFFAOYSA-N
MW421.44 g/mol
LogP2.60
Rot. Bonds5

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

2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-4-morpholin-4-ylpyrimidin-5-amine (PubChem CID 90445779) has the molecular formula C21H20FN7O2 and a molecular weight of 421.44 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-4-morpholin-4-ylpyrimidin-5-amine.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-4-morpholin-4-ylpyrimidin-5-amine
PubChem CID90445779
Molecular FormulaC21H20FN7O2
Molecular Weight421.44 g/mol
Exact Mass421.17
IUPAC Name2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-4-morpholin-4-ylpyrimidin-5-amine
SMILESNc1cnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)nc1N1CCOCC1
InChIInChI=1S/C21H20FN7O2/c22-15-4-2-1-3-14(15)13-29-19(17-5-8-31-27-17)11-18(26-29)20-24-12-16(23)21(25-20)28-6-9-30-10-7-28/h1-5,8,11-12H,6-7,9-10,13,23H2
InChIKeyLXVXDWZMXKRHSY-UHFFFAOYSA-N
XLogP2.60
TPSA108.12 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.44
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-4-morpholin-4-ylpyrimidin-5-amine?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-4-morpholin-4-ylpyrimidin-5-amine (CID 90445779) is 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-4-morpholin-4-ylpyrimidin-5-amine.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-4-morpholin-4-ylpyrimidin-5-amine?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-4-morpholin-4-ylpyrimidin-5-amine is Nc1cnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)nc1N1CCOCC1.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-4-morpholin-4-ylpyrimidin-5-amine?
The InChIKey is LXVXDWZMXKRHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN7O2/c22-15-4-2-1-3-14(15)13-29-19(17-5-8-31-27-17)11-18(26-29)20-24-12-16(23)21(25-20)28-6-9-30-10-7-28/h1-5,8,11-12H,6-7,9-10,13,23H2.
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-4-morpholin-4-ylpyrimidin-5-amine?
2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-4-morpholin-4-ylpyrimidin-5-amine has a molecular weight of 421.44 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-4-morpholin-4-ylpyrimidin-5-amine is sourced from PubChem (CID 90445779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).